SCHEMBL4552356

SCHEMBL4552356

CC(C)(C#N)c1ccc(C(=O)N2CC3C(CNc4ccc(N5CCOCC5)nc4)C3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP30 Q70CQ3 1/20 0.42
ADRA1A P35348 2/20 0.41
PPARG P37231 1/20 0.41
RAF1 P04049 7/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL4413367 0.91 MAPT (0.50) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4423657 0.84 MAPT (0.42) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4417990 0.83 HTT (0.44) BRAFSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4415691 0.82 TRPV1 (0.52) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4414899 0.82 TRPV1 (0.43) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4415708 0.81 SMN1; SMN2 (0.51) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4414870 0.80 TRPV1 (0.44) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4417791 0.80 MAPT (0.46) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4552355 0.79 RAF1 (0.39) BRAFPOLBRAF1
SCHEMBL4421397 0.78 SMN1; SMN2 (0.48) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1

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 BRAF 3436/4885MAPT 1368/4885SMN1; SMN2 4003/4885

“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.