SCHEMBL3842771

SCHEMBL3842771

NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 13/20 0.71
CPB1 P15086 5/20 0.68
TRHDE Q9UKU6 1/20 0.54
TRHR P34981 1/20 0.46
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL11036098 0.87 TRHDE (0.57) CPB2CPB1TRHDETRHRKDM5A
SCHEMBL26931596 0.86 TRHDE (0.56) CPB2CPB1TRHDETRHRKDM5A
SCHEMBL29692716 0.84 TRHDE (0.56) CPB2CPB1TRHDETRHRKDM5A
SCHEMBL7202306 0.83 CPB2 (1.00) CPB2CPB1TRHDETRHR
SCHEMBL21673119 0.83 TRHDE (0.58) CPB2CPB1TRHDETRHRKDM5A
SCHEMBL3839300 0.83 CPB2 (1.00) CPB2CPB1TRHDETRHR
SCHEMBL3841445 0.83 CPB2 (0.77) CPB2CPB1TRHDE
SCHEMBL24004542 0.81 TRHDE (0.56) CPB2CPB1TRHDETRHRKDM5A
SCHEMBL3839535 0.81 CPB2 (1.00) CPB2CPB1TRHDEKDM5AKDM5B
SCHEMBL3838506 0.81 CPB2 (1.00) CPB2CPB1TRHDE

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 5 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
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 CPB2 234/4885CPB1 168/4885TRHDE 3321/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 CPB2 167/4885CPB1 181/4885TRHDE 2951/4885

“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.