SCHEMBL4550709

SCHEMBL4550709

COCCN(C)c1cc[c]c(C(=O)NCC2C3CN(C(=O)c4ccc(C(C)(C)C)cc4)CC23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.36
HTR4 Q13639 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.32
ABAT P80404 1/20 0.32
ENPP2 Q13822 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NPC1 O15118 1/20 0.32
NPY5R Q15761 1/20 0.32
CRHBP P24387 1/20 0.32

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
SCHEMBL4552442 0.91 MEN1 (0.34) HTR4SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL6507945 0.86 NPY5R (0.34) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4415367 0.82 CACNA1H (0.38) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4418097 0.78 HRH3 (0.39) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4550710 0.78 ADRA1A (0.46) ADRA1ACRHBPCRHR2
SCHEMBL4415706 0.78 HPGD (0.44) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4418158 0.77 SMN1; SMN2 (0.39) HTR4SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL4413362 0.77 GAA (0.43) SMN1; SMN2ALDH1A1RAB9AHTTMAPT
SCHEMBL4414867 0.77 GBA1 (0.36) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4419305 0.76 SMN1; SMN2 (0.35) HTR4SMN1; SMN2ALDH1A1MAPK1MEN1

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 ADRA1A 618/4885HTR4 196/4885SMN1; 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.