SCHEMBL6603795

SCHEMBL6603795

CC1CN(c2cc3c(cc2Cl)CCN3)CC(C)N1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.34
HTR1D P28221 5/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
HTR2B P41595 5/20 0.34
HTR1A P08908 1/20 0.33
AR P10275 1/20 0.33
WDR5 P61964 1/20 0.32
GHSR Q92847 1/20 0.32
HTT P42858 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
SCHEMBL6603800 1.00 HTR1B (0.34) HTR1BHTR1DDRD2DRD4HTR2A
SCHEMBL7534823 1.00 HTR1B (0.34) HTR1BHTR1DDRD2DRD4HTR2A
SCHEMBL6101343 0.84 HTT (0.45) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL6101340 0.84 HTT (0.45) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL6609337 0.84 AR (0.33) HTR1BHTR1DDRD2DRD4AR
SCHEMBL6609342 0.84 AR (0.33) HTR1BHTR1DDRD2DRD4AR
SCHEMBL6609051 0.83 KDM4E (0.36) HTR1BHTR1DDRD2DRD4HTR2A
SCHEMBL6604743 0.83 ALDH1A1 (0.40) HTR1BDRD2DRD4ARWDR5
SCHEMBL6609050 0.83 KDM4E (0.36) HTR1BHTR1DDRD2DRD4HTR2A
SCHEMBL6604751 0.83 ALDH1A1 (0.40) HTR1BDRD2DRD4ARWDR5

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 7 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
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 WO 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 HTR1B 1/4885HTR1D 8/4885DRD2 52/4885

“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.