SCHEMBL861946

SCHEMBL861946

CC(C)(C)N1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
NOTUM Q6P988 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
RIPK1 Q13546 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL22783909 0.88 KMT2A (0.43) MAOAMAOBGRIN2DGRIN3BCHRM2
SCHEMBL861951 0.84 MAOA (0.57) MAOAMAOBNOTUMGRIN2DGRIN3B
SCHEMBL20078475 0.83 MAOA (0.55) MAOAMAOBNOTUMGRIN2DGRIN3B
SCHEMBL10216765 0.81 CYP3A4 (0.43) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL19754383 0.81 RIPK1 (0.54) MAOAMAOBNOTUMGRIN2DGRIN3B
SCHEMBL24606352 0.80 MAOA (0.41) MAOAMAOBNOTUMGRIN2DGRIN3B
SCHEMBL19754385 0.80 RIPK1 (0.49) MAOAMAOBNOTUMGRIN2DGRIN3B
SCHEMBL19702963 0.79 KCNH2 (0.33) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL20609581 0.77 RIPK1 (0.41) MAOAMAOBNOTUMKCNH2ALDH1A1
SCHEMBL20609569 0.77 ALDH1A1 (0.42) MAOAMAOBNOTUMALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins AVILAR THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230365570-A1 COMPOUNDS WITH GLUCOCORTICOID SPARING EFFECTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-20230365570-A1 COMPOUNDS WITH GLUCOCORTICOID SPARING EFFECTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357240-A1 NOVEL N-HETEROCYCLIC BET BROMODOMAIN INHIBITOR, AND PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CHENGDU EASTON BIOPHARMACEUTICALS CO LTD (CN) 2023-11-09 US disclosed
US-20230355622-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-09 US disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 US disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 US disclosed
US-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-04 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-11819551-B2 ASGPR-binding compounds for the degradation of extracellular proteins ASGR1, ENGASE, FCGR2A MAOA 3433/4885MAOB 2897/4885NOTUM 1705/4885
US-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs STAT3, JAK2, STAT5A MAOA 4521/4885MAOB 4251/4885NOTUM 3981/4885
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MAOA 159/4885MAOB 137/4885NOTUM 4028/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR MAOA 1831/4885MAOB 1224/4885NOTUM 1414/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 MAOA 3074/4885MAOB 2168/4885NOTUM 2319/4885
US-11807622-B2 TLR 9 inhibitors TLR9, TLR1, TLR7 MAOA 2627/4885MAOB 1674/4885NOTUM 3826/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 MAOA 229/4885MAOB 207/4885NOTUM 2244/4885
US-20230365570-A1 COMPOUNDS WITH GLUCOCORTICOID SPARING EFFECTS AND USES THEREOF NR3C1, NR3C2, NR5A1 MAOA 4226/4885MAOB 3865/4885NOTUM 3753/4885
US-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL MAOA 1082/4885MAOB 476/4885NOTUM 1137/4885
US-20230355622-A1 METHODS OF CHEMOVACCINATION AGAINST PLASMODIUM INFECTIONS CTSL, PRCP, CPB1 MAOA 4099/4885MAOB 4140/4885NOTUM 2404/4885
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 MAOA 4063/4885MAOB 4025/4885NOTUM 3727/4885
US-20230357240-A1 NOVEL N-HETEROCYCLIC BET BROMODOMAIN INHIBITOR, AND PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF BRD4, BRD1, BET1 MAOA 3324/4885MAOB 1915/4885NOTUM 1822/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH MAOA 1100/4885MAOB 553/4885NOTUM 3041/4885

“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.