SCHEMBL6603837

SCHEMBL6603837

CC1CN(c2ccc3c(c2)NCC3)CC(C)N1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
OPRM1 P35372 2/20 0.36
OPRL1 P41146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 1/20 0.35
CPS1 P31327 1/20 0.35
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR6 P50406 2/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL6603840 1.00 GFER (0.39) GFEROPRM1OPRL1SMN1; SMN2HTR7
SCHEMBL6788766 0.92 HRH3 (0.39) GFEROPRM1OPRL1HTR7TGFBR1
SCHEMBL6982007 0.78 ASIC3 (0.51) GFERSMN1; SMN2ASIC3DRD2HTR6
SCHEMBL6609337 0.75 AR (0.33) GFERDRD2DRD4ARALDH1A1
SCHEMBL6609342 0.75 AR (0.33) GFERDRD2DRD4ARALDH1A1
SCHEMBL6609051 0.74 KDM4E (0.36) CPS1DRD2DRD4AR
SCHEMBL6609050 0.74 KDM4E (0.36) CPS1DRD2DRD4AR
SCHEMBL6603800 0.74 HTR1B (0.34) DRD2DRD4ARGHSR
SCHEMBL6603795 0.74 HTR1B (0.34) DRD2DRD4ARGHSR
SCHEMBL6604751 0.74 ALDH1A1 (0.40) DRD2DRD4ARALDH1A1GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190432-C Piperazing derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM PLC (GB) 2005-02-23 CN disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
CN-1399635-A Piperazing derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM PLC (GB) 2003-02-26 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 (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-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A GFER 2128/4885OPRM1 32/4885OPRL1 29/4885

“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.