SCHEMBL14736703

SCHEMBL14736703

O=C(O)N1CC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)OCC1CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 9/20 0.55
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34

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
SCHEMBL14749309 0.89 PRCP (0.49) PRCPMAPTSMN1; SMN2
SCHEMBL12184052 0.82 PRCP (0.42) PRCPMAPTSMN1; SMN2LMNAHCRTR1
SCHEMBL12184022 0.79 PRCP (0.58) PRCPSMN1; SMN2LMNACYP3A4MEN1
SCHEMBL14736790 0.79 PRCP (0.58) PRCPSMN1; SMN2LMNACYP3A4MEN1
SCHEMBL14737198 0.78 PRCP (0.55) PRCP
SCHEMBL14737278 0.76 PRCP (0.55) PRCPMAPTLMNAHCRTR1HCRTR2
SCHEMBL14737070 0.72 PRCP (0.54) PRCPMAPTSMN1; SMN2PTPN1GRM5
SCHEMBL12185580 0.71 PRCP (1.00) PRCPCYP3A4MEN1CYP1A2CYP2D6
SCHEMBL14749293 0.71 PRCP (0.49) PRCPMAPTSMN1; SMN2LMNAMEN1
SCHEMBL14686708 0.70 PRCP (0.65) PRCPMAPTSMN1; SMN2PTPN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — 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 (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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885MAPT 3765/4885SMN1; SMN2 4754/4885

“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.

Send feedback