SCHEMBL111634

SCHEMBL111634

CNC1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.40
EPHX1 P07099 4/20 0.40
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
TGM2 P21980 1/20 0.36
POLB P06746 1/20 0.36
HRH4 Q9H3N8 1/20 0.35

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
Hydrochloric Acid SCHEMBL29280909 0.98 EPHX2 (0.39) EPHX2EPHX1ALDH1A1THRBATM
SCHEMBL4122196 0.87 HRH4 (0.42) EPHX2EPHX1ALDH1A1THRBATM
SCHEMBL18284105 0.87 HRH4 (0.42) EPHX2EPHX1ALDH1A1THRBATM
SCHEMBL15703919 0.87 HRH4 (0.42) EPHX2EPHX1ALDH1A1THRBATM
Hydrochloric Acid SCHEMBL6110472 0.85 HRH4 (0.41) EPHX2EPHX1ALDH1A1THRBATM
Hydrochloric Acid SCHEMBL21772820 0.85 HRH4 (0.41) EPHX2EPHX1ALDH1A1THRBATM
SCHEMBL10156619 0.84 ALDH1A1 (0.52) EPHX2EPHX1ALDH1A1THRBATM
SCHEMBL2888489 0.82 EPHX2 (0.58) EPHX2EPHX1
SCHEMBL16835513 0.81 ITGB3 (0.36) EPHX2ALDH1A1
SCHEMBL14018620 0.80 POLB (0.62) EPHX2EPHX1ALDH1A1THRBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP claimed
EP-2069327-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO claimed
WO-2008022979-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO claimed
US-12139499-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2024-11-12 US disclosed
EP-3814345-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-09-25 EP disclosed
US-20240190821-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL)BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES INC (US) 2024-06-13 US disclosed
CN-118119629-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-05-31 CN disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
EP-4313991-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2024-02-07 EP disclosed
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
US-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 US disclosed
WO-2005003127-A1 BICYCLIC HETEROAROMATIC DERIVATIVES AS MODULATORS OF CXCR3 FUNCTION CELLTECH R & D LIMITED (GB) 2005-01-13 WO disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 WO disclosed
US-6803364-B1 FOR TREATING EOSINOPHIL-DEPENDENT INFLAMMATORY DISEASES SUCH AS ASTHMA JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-12 US disclosed
CN-1134431-C 2,4-diaminopyrimidine derivatives as dopamine D4 receptor antagonists ��˹��ŵ�� 2004-01-14 CN disclosed
CN-1330643-A IL-5 inhibiting azauracil pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2002-01-09 CN disclosed
EP-1140873-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2001-10-10 EP disclosed
WO-2000037451-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO disclosed
CN-1218466-A 2,4-diaminopyrimidine derivatives as dopamine d4 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-06-02 CN 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 (4 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-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 EPHX2 4487/4885EPHX1 4190/4885ALDH1A1 1594/4885
US-12139499-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 EPHX2 2582/4885EPHX1 2140/4885ALDH1A1 1911/4885
US-20240190821-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL)BENZENESULFONAMIDES AND USES THEREOF PACSIN2, TPX2, PRSS12 EPHX2 4265/4885EPHX1 4226/4885ALDH1A1 3608/4885
US-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL EPHX2 2516/4885EPHX1 1773/4885ALDH1A1 439/4885

“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.