SCHEMBL6609050

SCHEMBL6609050

CC1CN(c2cc3c(cc2F)CCN3)CC(C)N1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
AR P10275 1/20 0.35
WDR5 P61964 8/20 0.35
CPS1 P31327 1/20 0.34
P4HB P07237 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL6609051 1.00 KDM4E (0.36) KDM4EHTTARWDR5CPS1
SCHEMBL6959227 0.84 HTT (0.37) KDM4EHTTARCPS1P4HB
SCHEMBL6609337 0.84 AR (0.33) ARWDR5DRD2DRD4HTR1D
SCHEMBL6101481 0.84 HTT (0.37) KDM4EHTTARCPS1P4HB
SCHEMBL6101478 0.84 HTT (0.37) KDM4EHTTARCPS1P4HB
SCHEMBL6609342 0.84 AR (0.33) ARWDR5DRD2DRD4HTR1D
SCHEMBL6604751 0.83 ALDH1A1 (0.40) ARWDR5DRD2DRD4HTR1B
SCHEMBL6603800 0.83 HTR1B (0.34) HTTARWDR5HTR2AHTR2C
SCHEMBL6603795 0.83 HTR1B (0.34) HTTARWDR5HTR2AHTR2C
SCHEMBL7534823 0.83 HTR1B (0.34) HTTARWDR5HTR2AHTR2C

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 KDM4E 2264/4885HTT 1011/4885AR 889/4885

“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.