SCHEMBL6100745

SCHEMBL6100745

COc1cc2c(cc1N1CC(C)N(C)C(C)C1)NCC2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 16/20 0.45
GHSR Q92847 3/20 0.45
HTR1D P28221 14/20 0.44
HTR1A P08908 3/20 0.42
MAOA P21397 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6604341 1.00 HTR1B (0.45) HTR1BGHSRHTR1DHTR1AMAOA
SCHEMBL6608158 0.92 HTR1B (0.44) HTR1BGHSRHTR1DHTR1AMAOA
SCHEMBL6608154 0.92 HTR1B (0.44) HTR1BGHSRHTR1DHTR1AMAOA
SCHEMBL6100983 0.85 GHSR (0.45) HTR1BGHSRHTR1DHTR1AMAOA
SCHEMBL6100980 0.85 GHSR (0.45) HTR1BGHSRHTR1DHTR1AMAOA
SCHEMBL6609342 0.82 AR (0.33) HTR1BHTR1D
SCHEMBL6609337 0.82 AR (0.33) HTR1BHTR1D
SCHEMBL7534823 0.81 HTR1B (0.34) HTR1BGHSRHTR1DHTR1A
SCHEMBL6603795 0.81 HTR1B (0.34) HTR1BGHSRHTR1DHTR1A
SCHEMBL6609051 0.81 KDM4E (0.36) HTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-7109201-B2 Piperazine derivatives, their preparation and uses in therapy SMITHKLINE BEECHAM PLC (GB) 2006-09-19 US disclosed
EP-1368337-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM PLC (GB) 2005-06-15 EP disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-20040142925-A1 Piperazine derivatives their preparation and uses in therapy SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-22 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
EP-1368337-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM PLC (GB) 2003-12-10 EP disclosed
WO-2002074764-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM P.L.C. (GB) 2002-09-26 WO 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 (2 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 1/4885GHSR 245/4885HTR1D 8/4885
US-20040142925-A1 Piperazine derivatives their preparation and uses in therapy NR3C2, NR2C2, NR3C1 HTR1B 204/4885GHSR 270/4885HTR1D 294/4885

“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.