SCHEMBL3672010

SCHEMBL3672010

CC[C@@H](c1ccccc1)n1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KDM4A O75164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
APLNR P35414 4/20 0.33
ACSS2 Q9NR19 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
BRD4 O60885 1/20 0.32
KMO O15229 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
SCHEMBL3667745 0.89 BRD4 (0.40) PPARGOPRL1KDM4EKDM4AALDH1A1
SCHEMBL3666716 0.89 BRD4 (0.40) PPARGOPRL1KDM4EKDM4AALDH1A1
SCHEMBL3667902 0.89 TP53 (0.35) KDM4EALDH1A1HTTL3MBTL1APLNR
SCHEMBL3669088 0.84 MEN1 (0.40) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL3675313 0.84 MEN1 (0.40) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL3666328 0.80 BACE1 (0.36) HPGDTSHRHTTHSD17B10
SCHEMBL3670194 0.79 HRH4 (0.33) ALDH1A1HPGDTSHRHTTHSD17B10
SCHEMBL3669613 0.79 HRH4 (0.33) ALDH1A1HPGDTSHRHTTHSD17B10
SCHEMBL2300295 0.79 HRH4 (0.33) ALDH1A1HPGDTSHRHTTHSD17B10
SCHEMBL3666355 0.79 ALDH1A1 (0.33) KDM4EKDM4AALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 PPARG 416/4885OPRM1 1777/4885OPRD1 1959/4885

“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.