SCHEMBL4418160

SCHEMBL4418160

CC(C)(C)c1ccc(C(=O)N2CC3C(CNc4ccc(C5CCOCC5)nc4)C3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 2/20 0.39
CNR2 P34972 1/20 0.39
NPY5R Q15761 4/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KCNH2 Q12809 1/20 0.38
BTK Q06187 6/20 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
SCHEMBL4414858 0.86 CRHBP (0.43) TRPC6CRHBPCRHR2MAPTCNR2
SCHEMBL4413367 0.84 MAPT (0.50) MAPTPOLBRAB9ASMN1; SMN2LMNA
SCHEMBL4414893 0.82 HIF1A (0.50) CRHBPCRHR2MAPTCNR2POLB
SCHEMBL4415368 0.82 CRHBP (0.42) CRHBPCRHR2CNR2NPY5RRAB9A
SCHEMBL4420965 0.82 ALDH1A1 (0.53) CRHBPCRHR2MAPTPOLBRAB9A
SCHEMBL4413646 0.82 CRHBP (0.39) CRHBPCRHR2NPY5RPOLBRAB9A
SCHEMBL4423657 0.80 MAPT (0.42) CRHBPCRHR2MAPTPOLBSMN1; SMN2
SCHEMBL4414899 0.80 TRPV1 (0.43) MAPTSMN1; SMN2LMNAALDH1A1BTK
SCHEMBL4415691 0.78 TRPV1 (0.52) CRHBPCRHR2MAPTPOLBRAB9A
SCHEMBL4419310 0.78 TRPV1 (0.42) CRHBPCRHR2MAPTNPY5RSMN1; SMN2

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 TRPC6 1692/4885CRHBP 2320/4885CRHR2 1662/4885

“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.