SCHEMBL4418781

SCHEMBL4418781

CCN(CC)C(=O)c1ccc(NCC2C3CN(C(=O)c4ccc(C(C)(C)C)cc4)CC23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
NPY2R P49146 1/20 0.41
RAB9A P51151 3/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.39
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL4418779 0.88 TSHR (0.47) TSHRCRHBPCRHR2MEN1KMT2A
SCHEMBL4414552 0.84 TRPV4 (0.44) TSHRCRHBPCRHR2MEN1KMT2A
SCHEMBL4420965 0.83 ALDH1A1 (0.53) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL4414858 0.80 CRHBP (0.43) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL4415368 0.79 CRHBP (0.42) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL4430225 0.78 HRH3 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4421382 0.78 HPGD (0.49) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4415691 0.75 TRPV1 (0.52) CRHBPCRHR2MEN1KMT2ASMN1; SMN2
SCHEMBL6502054 0.75 DGAT1 (0.42) TSHRCRHBPCRHR2MEN1KMT2A
SCHEMBL4415708 0.75 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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 12 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
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP disclosed
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US disclosed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO 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 TSHR 1525/4885CRHBP 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.