SCHEMBL6605052

SCHEMBL6605052

CC1CN(c2cc3c(cc2C#N)CCN3C(=O)Cc2cccc(C(F)(F)F)c2Cl)CC(C)N1C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 15/20 0.64
HTR1D P28221 14/20 0.64
HTR1A P08908 3/20 0.48
GHSR Q92847 1/20 0.45
P2RX7 Q99572 2/20 0.38
PGR P06401 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL6605057 1.00 HTR1B (0.64) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6603902 0.89 HTR1B (0.66) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6603907 0.89 HTR1B (0.66) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604091 0.88 HTR1B (0.65) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604086 0.88 HTR1B (0.65) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604825 0.87 HTR1B (0.84) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604831 0.87 HTR1B (0.84) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604242 0.85 HTR1B (0.61) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604244 0.85 HTR1B (0.61) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604879 0.81 HTR1B (0.81) HTR1BHTR1DHTR1AGHSRP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP claimed
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

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 8/4885HTR1A 5/4885

“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.