SCHEMBL4418680

SCHEMBL4418680

CN(Cc1ncc[nH]1)c1ccc(NCC2C3CN(C(=O)c4ccc(C(C)(C)C)cc4)CC23)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.39
HTR2B P41595 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPY5R Q15761 3/20 0.35
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
HPGD P15428 1/20 0.32
CDK4 P11802 1/20 0.32
FASN P49327 1/20 0.32

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
SCHEMBL4550710 0.84 ADRA1A (0.46) TRPV1CRHBPCRHR2CNR2
SCHEMBL6507945 0.81 NPY5R (0.34) HTR2BCRHBPCRHR2NPY5RALDH1A1
SCHEMBL6502054 0.78 DGAT1 (0.42) TRPV1CRHBPCRHR2NPY5RCNR2
SCHEMBL2183212 0.78 OPRM1 (0.33) HTR2B
SCHEMBL4415368 0.77 CRHBP (0.42) CRHBPCRHR2NPY5RCNR2ALDH1A1
SCHEMBL18887154 0.76 JAK3 (0.32) HTR2B
SCHEMBL4424747 0.74 HPGDS (0.44) TRPV1CRHBPCRHR2NPY5RALDH1A1
SCHEMBL4415691 0.74 TRPV1 (0.52) TRPV1CRHBPCRHR2ALDH1A1MAPK1
SCHEMBL4418100 0.73 MCHR1 (0.46) TRPV1ALDH1A1
SCHEMBL4415708 0.73 SMN1; SMN2 (0.51) TRPV1ALDH1A1MAPK1SMN1; SMN2HPGD

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-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 TRPV1 1359/4885HTR2B 347/4885CRHBP 2320/4885

“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.