SCHEMBL4423657

SCHEMBL4423657

CC(C)(C)c1ccc(C(=O)N2CC3C(CNc4ccc(N5CC(N6CCOCC6)C5)nc4)C3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT3 P40763 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BTK Q06187 4/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CCR9 P51686 1/20 0.38

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
SCHEMBL4414899 0.94 TRPV1 (0.43) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4413367 0.92 MAPT (0.50) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4426434 0.87 TRPV1 (0.45) ADRA1ATRPV1
SCHEMBL4419310 0.86 TRPV1 (0.42) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4415691 0.85 TRPV1 (0.52) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4415708 0.85 SMN1; SMN2 (0.51) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4417791 0.84 MAPT (0.46) MAPTSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4414870 0.84 TRPV1 (0.44) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4552356 0.84 BRAF (0.48) MAPTSMN1; SMN2STAT3CYP1A2CYP2C19
SCHEMBL4414893 0.82 HIF1A (0.50) MAPTSMN1; SMN2ALDH1A1LMNAGAA

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 MAPT 1368/4885SMN1; SMN2 4003/4885STAT3 4043/4885

“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.