SCHEMBL6609342

SCHEMBL6609342

Cc1cc2c(cc1N1C[C@@H](C)N(C)[C@@H](C)C1)NCC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
WDR5 P61964 1/20 0.30
GFER P55789 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL6609337 1.00 AR (0.33) ARDRD2DRD4HTR1DHTR1B
SCHEMBL6604751 0.84 ALDH1A1 (0.40) ARDRD2DRD4HTR1BWDR5
SCHEMBL6609050 0.84 KDM4E (0.36) ARDRD2DRD4HTR1DHTR1B
SCHEMBL7534823 0.84 HTR1B (0.34) ARDRD2DRD4HTR1DHTR1B
SCHEMBL6603795 0.84 HTR1B (0.34) ARDRD2DRD4HTR1DHTR1B
SCHEMBL6609051 0.84 KDM4E (0.36) ARDRD2DRD4HTR1DHTR1B
SCHEMBL6603800 0.84 HTR1B (0.34) ARDRD2DRD4HTR1DHTR1B
SCHEMBL6604743 0.84 ALDH1A1 (0.40) ARDRD2DRD4HTR1BWDR5
SCHEMBL6099305 0.84 HTT (0.35) ARDRD2DRD4HTR1DHTR1B
SCHEMBL6099303 0.84 HTT (0.35) ARDRD2DRD4HTR1DHTR1B

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 AR 889/4885DRD2 52/4885DRD4 239/4885

“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.