SCHEMBL4592673

SCHEMBL4592673

NC(=O)C1CN(c2ccncc2)CCN1C(=O)[CH]Cc1cc(Cl)c2[nH]c(=O)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KIT P10721 4/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CYP3A4 P08684 1/20 0.30
CALCRL Q16602 1/20 0.30

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
SCHEMBL4592711 0.86 HTR1A (0.44) HTR1ASLC6A2SLC6A3
SCHEMBL4593260 0.80 CYP3A4 (0.36) HTR1AHRH3CYP3A4CALCRL
SCHEMBL4763044 0.78 NOTUM (0.34)
SCHEMBL6802072 0.75 HTR1A (0.39) HTR1ASLC6A2SLC6A3HRH3
SCHEMBL5658079 0.72 ROCK2 (0.38) CYP3A4
SCHEMBL4592676 0.72 AKT1 (0.45) CYP3A4CALCRL
SCHEMBL5618855 0.67 AGTR2 (0.39) CALCRL
SCHEMBL4585680 0.67 HTR1A (0.39) HTR1ASLC6A2SLC6A3CYP3A4CALCRL
SCHEMBL4593672 0.66 HTR1A (0.42) HTR1ASLC6A2SLC6A3
SCHEMBL4586262 0.65 KMO (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP claimed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP claimed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR HTR1A 171/4885SLC6A2 2782/4885SLC6A3 4300/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR HTR1A 171/4885SLC6A2 2782/4885SLC6A3 4300/4885

“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.