SCHEMBL6603817

SCHEMBL6603817

COc1cc2c(cc1N1C[C@@H](C)N[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(N4CCCC4=O)nc3C)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 15/20 1.00
HTR1B P28222 15/20 1.00
HTR1A P08908 5/20 0.55
GHSR Q92847 5/20 0.42
HTR2A P28223 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
SCHEMBL6603811 1.00 HTR1D (1.00) HTR1DHTR1BHTR1AGHSRHTR2A
SCHEMBL6700974 0.90 HTR1B (0.80) HTR1DHTR1BHTR1AGHSR
SCHEMBL6700971 0.90 HTR1B (0.80) HTR1DHTR1BHTR1AGHSR
SCHEMBL6604791 0.87 HTR1D (0.77) HTR1DHTR1BHTR1AGHSRHTR2A
SCHEMBL6604795 0.87 HTR1D (0.77) HTR1DHTR1BHTR1AGHSRHTR2A
SCHEMBL6168850 0.83 HTR1D (0.71) HTR1DHTR1BHTR1AGHSRHTR2A
SCHEMBL6102593 0.83 HTR1D (0.71) HTR1DHTR1BHTR1AGHSRHTR2A
SCHEMBL6098290 0.82 HTR1D (0.73) HTR1DHTR1BHTR1AGHSRHTR2A
SCHEMBL6101088 0.82 HTR1D (0.69) HTR1DHTR1BHTR1AGHSRHTR2A
SCHEMBL6099761 0.81 HTR1D (0.68) HTR1DHTR1BHTR1AGHSRHTR2A

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 6 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 claimed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO 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

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 HTR1D 8/4885HTR1B 1/4885HTR1A 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.