SCHEMBL6607580

SCHEMBL6607580

CCc1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(C)=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 14/20 0.47
HTR1D P28221 13/20 0.47
GHSR Q92847 1/20 0.46
HTR1A P08908 2/20 0.45
NOTUM Q6P988 4/20 0.43
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6607581 1.00 HTR1B (0.47) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6604255 0.85 HTR1B (0.50) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6604254 0.85 HTR1B (0.50) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6604293 0.84 HTR1B (0.54) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL7590930 0.84 HTR1B (0.49) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6611704 0.84 HTR1B (0.49) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6609195 0.84 HTR1B (0.48) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6604290 0.84 HTR1B (0.54) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6611708 0.84 HTR1B (0.49) HTR1BHTR1DGHSRHTR1ANOTUM
SCHEMBL6609198 0.84 HTR1B (0.48) HTR1BHTR1DGHSRHTR1ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 8/4885GHSR 245/4885

“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.