SCHEMBL14749344

SCHEMBL14749344

O=C(CCCN1CCCCC1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.53
▸ SIGMAR1 Q99720 5/20 0.42
▸ TMEM97 Q5BJF2 3/20 0.42
▸ HRH1 P35367 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ HRH3 Q9Y5N1 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 0.90 PRCP (0.56) PRCPHRH1ALDH1A1MAPTCYP2D6
SCHEMBL14749329 0.85 PRCP (0.59) PRCPALDH1A1MAPTGFER
SCHEMBL14749336 0.84 PRCP (0.55) PRCPHRH1ALDH1A1MAPT
SCHEMBL14749364 0.84 PRCP (0.55) PRCPHRH1ALDH1A1MAPT
SCHEMBL14749345 0.84 PRCP (0.55) PRCPALDH1A1MAPT
SCHEMBL14749342 0.84 PRCP (0.53) PRCPHRH1ALDH1A1MAPTGFER
SCHEMBL14749328 0.84 PRCP (0.61) PRCPALDH1A1MAPT
SCHEMBL14736875 0.83 PRCP (0.59) PRCP
SCHEMBL14749349 0.83 PRCP (0.51) PRCPALDH1A1MAPTGFER
SCHEMBL14749330 0.83 PRCP (0.57) PRCPALDH1A1GFERHRH3

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 1/4885SIGMAR1 4784/4885TMEM97 4772/4885

“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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