SCHEMBL1104721

SCHEMBL1104721

CC(C)(C)CN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
CXCR4 P61073 5/20 0.37
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2C P18825 1/20 0.32
CCR2 P41597 1/20 0.32
CXCL12 P48061 1/20 0.32

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
Bromide SCHEMBL4936619 0.97 SIGMAR1 (0.43) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1308918 0.97 SIGMAR1 (0.43) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL12932939 0.91 CXCR4 (0.50) SIGMAR1ALDH1A1HTTCXCR4CHRM5
SCHEMBL25096239 0.89 CXCR4 (0.44) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL24122600 0.87 CXCR4 (0.57) SIGMAR1ALDH1A1HTTSMN1; SMN2CXCR4
SCHEMBL19021173 0.85 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL5269618 0.82 SIGMAR1 (0.45) SIGMAR1ALDH1A1HTTSMN1; SMN2CHRM5
SCHEMBL21472825 0.82 ACHE (0.39) SIGMAR1ALDH1A1HTTCHRM5ADRA2C
SCHEMBL14584234 0.82 SIGMAR1 (0.39) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3919857 0.80 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435078-B2 Pyridazinones and methods of use thereof GFB (ABC), LLC (US) 2025-10-07 US disclosed
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 US disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF GUANGZHOU SALUSTIER BIOSCIENCES CO., LTD. (CN) 2023-11-02 US disclosed
US-6316618-B1 REACTING ETHYL 2-(4-CHLORO-5-FLUORO-2-HALO-3-NITOBENZOYL)-3-((1-HYDROXYPROPY-2(S) -YL)AMINO)ACRYLATE IN PRESENCE OF BASE, REACTING WITH PIPERIDINE COMPOUND, HYDROLYSIS, CYCLIZATION SAMSUNG ELECTRONICS CO., LTD. (KR) 2001-11-13 US disclosed
EP-1073662-A1 PROCESS FOR PREPARING (-)PYRIDOBENZOXAZINE CARBOXYLIC ACID DERIVATIVES SAMSUNG ELECTRONICS CO., LTD. (KR) 2001-02-07 EP disclosed
WO-2000050428-A1 PROCESS FOR PREPARING (-)PYRIDOBENZOXAZINE CARBOXYLIC ACID DERIVATIVES SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-08-31 WO disclosed
US-5180718-A Antilipemic Agents CIBA-GEIGY CORPORATION (US) 1993-01-19 US disclosed
EP-0475895-A1 Acyl derivatives of rifamycins and their use as medicaments CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0434621-A2 Rifamycin derivatives and processes for the manufacture thereof CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
US-4353826-A ANTITUBERCULAR ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
US-4261891-A BACTERICIDES, ANTITUBERCULAR AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4213984-A ANTIULCER AGENTS, ANTISECRETORY AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-22 US disclosed
US-4005077-A DERIVATIVES OF RIFAMYCIN S OR SV CIBA-GEIGY CORPORATION (US) 1977-01-25 US 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 (8 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-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SIGMAR1 2433/4885ALDH1A1 2338/4885HTT 2071/4885
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 SIGMAR1 158/4885ALDH1A1 2758/4885HTT 4284/4885
US-12435078-B2 Pyridazinones and methods of use thereof PDXK, ATP6V1B1, REN SIGMAR1 3665/4885ALDH1A1 649/4885HTT 1765/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN SIGMAR1 3038/4885ALDH1A1 4021/4885HTT 298/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 SIGMAR1 4229/4885ALDH1A1 2264/4885HTT 3760/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH SIGMAR1 4514/4885ALDH1A1 4659/4885HTT 933/4885
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF FLT3, ABL1, MCL1 SIGMAR1 3388/4885ALDH1A1 3264/4885HTT 3620/4885
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF JAK3, JAK2, JAK1 SIGMAR1 2903/4885ALDH1A1 2774/4885HTT 4709/4885

“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.