SCHEMBL2728405

SCHEMBL2728405

O=C(O)C=Cc1ccc2c(c1)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA3 P07451 3/20 0.53
CA4 P22748 3/20 0.53
CA6 P23280 3/20 0.53
CA5A P35218 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
CA5B Q9Y2D0 3/20 0.53
MAPK1 P28482 3/20 0.53
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
DPP4 P27487 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL2728401 1.00 KDM4E (0.53) KDM4EALDH1A1HSD17B10CA12CA1
Hydrochloric Acid SCHEMBL27910221 0.98 KDM4E (0.51) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL7615406 0.96 KDM4E (0.53) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL7615401 0.96 KDM4E (0.53) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL13797243 0.93 KDM4E (0.56) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL30567327 0.93 KDM4E (0.56) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL20681307 0.93 KDM4E (0.56) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL30263749 0.93 KDM4E (0.56) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL30207038 0.93 KDM4E (0.56) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL8765796 0.88 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921559-B2 4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-30 US disclosed
EP-2646429-B1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-10-15 EP disclosed
EP-2646429-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-10-09 EP disclosed
EP-2635572-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2013-09-11 EP disclosed
WO-2012061698-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-09-13 WO disclosed
WO-2012075115-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 WO disclosed
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-07 US disclosed
WO-2012061698-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-05-10 WO disclosed
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 US disclosed
EP-1781303-A4 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX INC (US) 2008-07-02 EP disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 WO disclosed
US-RE32944-E Aromatic carboxylic amide derivatives Kissei Yakuhin Kogyo Kabushiki (JP) 1989-06-06 US disclosed
US-4078066-A HYPOTENSIVE AGENTS, SURFACTANTS, BACTERICIDES AND WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4033971-A HYPOTENSIVES, SURFACTANTS, BACTERICIDES, WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1977-07-05 US disclosed
US-4026896-A ANTIALLERGENS KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (KISSEI PHARMACEUTICAL CO. LTD.) (JA) 1977-05-31 US disclosed
US-3940422-A ANTIALLERGEN KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (JA) 1976-02-24 US disclosed
US-3936465-A SURFACTANT, WATER SOFTENER, BACTERICIDE, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-02-03 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 (1 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-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 KDM4E 1448/4885ALDH1A1 298/4885HSD17B10 1485/4885

“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.