SCHEMBL292379

SCHEMBL292379

Cc1cc([O])cc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL3757280 0.73 CYP3A4 (0.52) RAPGEF4CYP1A2GAA
SCHEMBL5609447 0.73 ALDH1A1 (0.58) CYP1A2LMNAGAAMAPK1HTT
SCHEMBL5004546 0.73 ALDH1A1 (0.36) CYP1A2LMNAMAPK1
SCHEMBL3123299 0.73 CA1 (0.58) CYP1A2LMNAGAAHTT
SCHEMBL394722 0.71 MAPK1 (0.33) CYP1A2LMNAGAAMAPK1HTT
SCHEMBL18950483 0.69 ALDH1A1 (0.53) RAPGEF4CYP1A2MAPK1TUBB1
SCHEMBL28951 0.69 RAPGEF4 (0.59) RAPGEF4CYP1A2LMNAGAA
SCHEMBL1551822 0.69 RAPGEF4 (0.59) RAPGEF4CYP1A2LMNAGAA
SCHEMBL26745227 0.69 RAPGEF4 (0.30) RAPGEF4
SCHEMBL12922768 0.69 ACHE (0.32) RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS PFIZER INC. 2010-05-27 US claimed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP claimed
EP-1856060-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS Pfizer Products Inc. (US) 2007-11-21 EP claimed
EP-1115693-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-05-02 EP claimed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US claimed
WO-2006090250-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROP AN-2-OL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-08-31 WO claimed
US-6861561-B2 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G. D. SEARLE & CO. (US) 2005-03-01 US claimed
US-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC 2005-02-24 US claimed
US-6803388-B2 TREATING ATHEROSCLEROSIS AND CORONARY ARTERY DISEASES; STEREOSELECTIVE; CHEMICAL INTERMEDIATES PFIZER, INC. 2004-10-12 US claimed
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US claimed
EP-0659076-A1 7-((SUBSTITUTED)AMINO)-8-(((SUBSTITUTED)CARBONYL)-METHYLAMINO)-1-OXASPIRO(4,5)DECANES USEFUL IN PARKINSON'S DISEASE, DYSTONIA, AND OTHER MOVEMENT DISORDERS WARNER-LAMBERT COMPANY (US) 1995-06-28 EP claimed
EP-0632806-A1 AMINOCYCLOHEXYLAMIDES FOR ANTIARRHYTHMIC AND ANAESTHETIC USES. UNIV BRITISH COLUMBIA (CA) 1995-01-11 EP claimed
US-5369120-A Parkinson's disease WARNER-LAMBERT COMPANY (US) 1994-11-29 US claimed
US-5369105-A Administering to humans WARNER-LAMBERT COMPANY (US) 1994-11-29 US claimed
US-5317028-A 7-((substituted)amino)-8((substituted)carbonyl)-methylamino-1-oxaspiro(4,5)decanes useful in Parkinson's disease, dystonia, and other movement disorders WARNER-LAMBERT CO. (US) 1994-05-31 US claimed
WO-1994005284-A1 7-((SUBSTITUTED)AMINO)-8-(((SUBSTITUTED)CARBONYL)-METHYLAMINO)-1-OXASPIRO(4,5)DECANES USEFUL IN PARKINSON'S DISEASE, DYSTONIA, AND OTHER MOVEMENT DISORDERS WARNER-LAMBERT COMPANY (US) 1994-03-17 WO claimed
WO-1993019056-A1 AMINOCYCLOHEXYLAMIDES FOR ANTIARRHYTHMIC AND ANAESTHETIC USES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1993-09-30 WO claimed
US-5063242-A 7-((substituted)amino)-8-((substituted)carbonyl)-methylamino-1-oxaspiro[4,5]decanes as diuretics antiinflammatory, and cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1991-11-05 US claimed
EP-0393696-A2 7-(Substituted)amino)-8-(substituted)Carbonyl)-methylamino-1-oxaspiro (4,5)decanes as diuretics antiinflammatory, and cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1990-10-24 EP claimed
US-4965278-A 7-(substituted)amino)-8-((substituted)carbonyl)-methylamino)-1-oxaspiro[4,5]decanes as diuretics antiiflammatory, and cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1990-10-23 US claimed

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-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP RAPGEF4 3354/4885CYP1A2 2385/4885LMNA 2690/4885
US-20100130784-A1 SUBSTITUTED 1,1,1-TRIFLUORO-3-[(BENZYL)-(PYRIMIDIN-2-YL)-AMINO]-PROPAN-2-OL COMPOUNDS APOB, LDLR, HDLBP RAPGEF4 1696/4885CYP1A2 1077/4885LMNA 463/4885

“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.