SCHEMBL14749342

SCHEMBL14749342

CN1CCN(CC(=O)N2CCCC(c3cc(-c4ccc(F)cc4)nn3-c3ncccn3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL14749343 0.92 PRCP (0.56) PRCPALDH1A1KDM4ETDP1GRM5
SCHEMBL14749321 0.90 PRCP (0.55) PRCPALDH1A1KDM4ETDP1GRM5
SCHEMBL14749330 0.85 PRCP (0.57) PRCPALDH1A1GFERGRM5SMN1; SMN2
SCHEMBL14749326 0.84 PRCP (0.55) PRCPALDH1A1GFERGRM5SMN1; SMN2
SCHEMBL14749328 0.84 PRCP (0.61) PRCPALDH1A1GRM5SMN1; SMN2MAPT
SCHEMBL14749350 0.84 PRCP (0.53) PRCPALDH1A1GFERGRM5GAA
SCHEMBL14749344 0.84 PRCP (0.53) PRCPALDH1A1GFERCYP2D6HRH1
SCHEMBL14749332 0.84 PRCP (0.54) PRCPALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL14736875 0.84 PRCP (0.59) PRCPKDM4EGRM5MEN1KMT2A
SCHEMBL14749364 0.83 PRCP (0.55) PRCPALDH1A1KDM4EHRH1SMN1; SMN2

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 661/4885KDM4E 576/4885

“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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