SCHEMBL270997

SCHEMBL270997

CC(C)(C)c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.69
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 4/20 0.68
SIGMAR1 Q99720 1/20 0.65
HRH4 Q9H3N8 1/20 0.62
KCNH2 Q12809 1/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP2C9 P11712 1/20 0.56
NCF1 P14598 1/20 0.55
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
MBTD1 Q05BQ5 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12666600 1.00 HRH3 (0.69) HRH3ALDH1A1KDM4ESIGMAR1HRH4
Hydrochloric Acid SCHEMBL7407307 0.98 HRH3 (0.67) HRH3ALDH1A1KDM4ESIGMAR1HRH4
SCHEMBL10212101 0.98 HRH3 (0.65) HRH3ALDH1A1KDM4ESIGMAR1HRH4
SCHEMBL797985 0.94 ALDH1A1 (0.59) HRH3ALDH1A1KDM4ESIGMAR1HRH4
SCHEMBL1044315 0.90 KCNH2 (0.58) HRH3ALDH1A1KDM4ESIGMAR1KCNH2
SCHEMBL7809477 0.84 CHKA (0.71) ALDH1A1KDM4ESIGMAR1NCF1
SCHEMBL13226952 0.84 HRH3 (0.62) HRH3ALDH1A1KDM4EHRH4MEN1
SCHEMBL17368380 0.83 ALDH1A1 (0.53) HRH3ALDH1A1KDM4ESIGMAR1HRH4
SCHEMBL17368381 0.83 ALDH1A1 (0.53) HRH3ALDH1A1KDM4ESIGMAR1HRH4
SCHEMBL4277270 0.83 HRH3 (1.00) HRH3ALDH1A1KDM4EHRH4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 US disclosed
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20220400728-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE AS FOOD INGREDIENTS AND METHODS OF PRODUCING THEREOF CADENA BIO INC (US) 2022-12-22 US disclosed
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2020-10-22 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
EP-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 EP disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 HRH3 358/4885ALDH1A1 116/4885KDM4E 3659/4885
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF TNF, NFATC1, IL2 HRH3 3768/4885ALDH1A1 702/4885KDM4E 4804/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HRH3 2165/4885ALDH1A1 3752/4885KDM4E 3027/4885
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 HRH3 626/4885ALDH1A1 2506/4885KDM4E 2108/4885
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 HRH3 358/4885ALDH1A1 116/4885KDM4E 3659/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 HRH3 3800/4885ALDH1A1 2535/4885KDM4E 4481/4885
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF PIK3CD, PIK3CA, PIK3R5 HRH3 4098/4885ALDH1A1 704/4885KDM4E 3238/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 HRH3 380/4885ALDH1A1 174/4885KDM4E 3638/4885
US-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA HRH3 2389/4885ALDH1A1 1517/4885KDM4E 3246/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R HRH3 147/4885ALDH1A1 2294/4885KDM4E 813/4885
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 HRH3 4828/4885ALDH1A1 2551/4885KDM4E 335/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 HRH3 2294/4885ALDH1A1 1477/4885KDM4E 3200/4885
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 HRH3 2518/4885ALDH1A1 3224/4885KDM4E 3818/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.