SCHEMBL4419310

SCHEMBL4419310

CN1C2CCC1CN(c1ccc(NCC3C4CN(C(=O)c5ccc(C(C)(C)C)cc5)CC34)cn1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPY5R Q15761 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PANK3 Q9H999 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL4415708 0.88 SMN1; SMN2 (0.51) TRPV1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL4415691 0.86 TRPV1 (0.52) TRPV1MAPK1KDM4EMAPTCRHBP
SCHEMBL4426434 0.86 TRPV1 (0.45) TRPV1
SCHEMBL4423657 0.86 MAPT (0.42) TRPV1KDM4EMAPTCRHBPCRHR2
SCHEMBL4413367 0.85 MAPT (0.50) TRPV1KDM4EMAPTSMN1; SMN2PANK3
SCHEMBL4417791 0.85 MAPT (0.46) TRPV1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL4414870 0.85 TRPV1 (0.44) TRPV1MAPK1KDM4EMAPTCRHBP
SCHEMBL4421397 0.84 SMN1; SMN2 (0.48) TRPV1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL4414899 0.84 TRPV1 (0.43) TRPV1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4418100 0.84 MCHR1 (0.46) TRPV1ALDH1A1MEN1KMT2ACYP1A2

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
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 1359/4885MAPK1 2572/4885KDM4E 2032/4885

“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.