SCHEMBL14749320

SCHEMBL14749320

O=C(Cc1ccc2ccccc2c1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.58
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ MAP3K12 Q12852 1/20 0.41
▸ SYK P43405 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HRH1 P35367 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
SCHEMBL14749316 0.88 PRCP (0.57) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL14752561 0.87 PRCP (0.62) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL14752663 0.87 PRCP (0.56) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL12183983 0.86 PRCP (0.64) PRCPALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL14749365 0.85 PRCP (0.60) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL14749356 0.85 PRCP (0.54) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL14749338 0.84 PRCP (0.65) PRCPALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL14749319 0.83 PRCP (0.57) PRCPALDH1A1SMN1; SMN2KDM4E
SCHEMBL14749329 0.83 PRCP (0.59) PRCPALDH1A1SMN1; SMN2KDM4E
SCHEMBL12184064 0.83 PRCP (0.83) PRCPALDH1A1SMN1; SMN2KDM4ESYK

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 2 patents. 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
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 1/4885ALDH1A1 661/4885SMN1; 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.

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