SCHEMBL67127

SCHEMBL67127

CCC(CC)C(C(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.64
KMT2A Q03164 2/20 0.48
LMNA P02545 5/20 0.48
SRC P12931 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
APAF1 O14727 1/20 0.42

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
SCHEMBL20336550 0.86 CYP2D6 (0.50) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL10162836 0.86 CYP2D6 (0.50) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL20336552 0.86 CYP2D6 (0.50) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL18261175 0.83 CYP2D6 (0.46) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL31447452 0.83 CYP2D6 (0.48) CYP2D6POLB
SCHEMBL14359915 0.82 CYP2D6 (0.47) CYP2D6KMT2AMAPK1CHRM2CHRM4
SCHEMBL23872457 0.82 CYP2D6 (0.61) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL499471 0.82 CYP2D6 (0.61) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL4612358 0.82 CYP2D6 (0.61) CYP2D6KMT2ALMNASRCMAPK1
SCHEMBL4611322 0.82 CYP2D6 (0.61) CYP2D6KMT2ALMNASRCMAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115175887-B Phenol derivatives and their use in medicine 天地恒一制药股份有限公司 2023-08-01 CN disclosed
CN-115175887-A Phenol derivative and application thereof in medicine 天地恒一制药股份有限公司 2022-10-11 CN disclosed
CN-105143170-B For treating the aromatic compounds of pulmonary fibrosis, liver fibrosis, fibrosis of skin and cardiac fibrosis being substituted 普罗米蒂克医药SMT有限公司 2019-11-08 CN disclosed
CN-105997967-B Compound and composition for treating cancer 普罗米蒂克医药SMT有限公司 2019-08-23 CN disclosed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers 2011-12-21 CN disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 (2 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CYP2D6 617/4885KMT2A 3363/4885LMNA 598/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CYP2D6 617/4885KMT2A 3363/4885LMNA 598/4885

“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.