SCHEMBL6100980

SCHEMBL6100980

COc1cc2c(cc1N1CC(C)NC(C)C1)NCC2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.45
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
HTR1A P08908 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL6100983 1.00 GHSR (0.45) GHSRHTR1DHTR1BHTR1ATSHR
SCHEMBL6610281 0.92 GHSR (0.44) GHSRHTR1DHTR1BHTR1A
SCHEMBL6610276 0.92 GHSR (0.44) GHSRHTR1DHTR1BHTR1A
SCHEMBL6100745 0.85 HTR1B (0.45) GHSRHTR1DHTR1BHTR1ATSHR
SCHEMBL6604341 0.85 HTR1B (0.45) GHSRHTR1DHTR1BHTR1ATSHR
SCHEMBL6099305 0.82 HTT (0.35) GHSRHTR1DHTR1B
SCHEMBL6099303 0.82 HTT (0.35) GHSRHTR1DHTR1B
SCHEMBL6101343 0.81 HTT (0.45) GHSR
SCHEMBL6959227 0.81 HTT (0.37) GHSR
SCHEMBL6101478 0.81 HTT (0.37) GHSR

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 9 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

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 GHSR 245/4885HTR1D 8/4885HTR1B 1/4885
US-20040142925-A1 Piperazine derivatives their preparation and uses in therapy NR3C2, NR2C2, NR3C1 GHSR 270/4885HTR1D 294/4885HTR1B 204/4885

“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.