SCHEMBL3838880

SCHEMBL3838880

O=C(O)[C@H](Cc1c[nH]cn1)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SLC6A4 P31645 8/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GAA P10253 1/20 0.35
OPRD1 P41143 5/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC6A2 P23975 5/20 0.33
SLC6A3 Q01959 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL27593612 1.00 LMNA (0.37) LMNASLC6A4KDM5CKDM4CGAA
SCHEMBL3843654 0.95 OPRD1 (0.35) LMNASLC6A4KDM5CKDM4CGAA
SCHEMBL13617949 0.84 OPRD1 (0.35) SLC6A4OPRD1SLC6A2SLC6A3MEN1
SCHEMBL6334699 0.78 CPB2 (0.56) LMNAGAACPB2
SCHEMBL6324387 0.78 CPB2 (0.56) LMNAGAACPB2
SCHEMBL6324378 0.78 CPB2 (0.56) LMNAGAACPB2
SCHEMBL8366278 0.76 CPB2 (0.49) CPB2
SCHEMBL3085221 0.76 ALDH1A1 (0.52) GAAKMT2AALDH1A1
SCHEMBL31690313 0.75 HSD17B10 (0.51) GAAMEN1KMT2AALDH1A1
SCHEMBL20095093 0.75 NPSR1 (0.34)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
CN-1443173-A Substituted imidazoles as TAFI a inhibitors PFIZER LTD (US) 2003-09-17 CN disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 US 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 (2 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-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 LMNA 895/4885SLC6A4 3535/4885KDM5C 2575/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 LMNA 907/4885SLC6A4 3537/4885KDM5C 3421/4885

“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.