SCHEMBL14749374

SCHEMBL14749374

Cc1ccc(CCCN2CCCC(c3cc(-c4ccc(F)cc4)nn3-c3ncccn3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.51
▸ HTR1A P08908 3/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ DRD1 P21728 3/20 0.42
▸ DRD5 P21918 3/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ CCR3 P51677 4/20 0.39
▸ DRD4 P21917 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA2C P18825 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
SCHEMBL14749378 0.92 PRCP (0.49) PRCPHTR1ADRD2DRD1DRD5
SCHEMBL14749368 0.87 PRCP (0.67) PRCPDRD2HTR2ADRD3HRH3
SCHEMBL14749367 0.85 PRCP (0.54) PRCPDRD2DRD1DRD5DRD3
SCHEMBL14749283 0.82 PRCP (0.49) PRCP
SCHEMBL14749316 0.82 PRCP (0.57) PRCPGAAPDE2A
SCHEMBL14737072 0.82 PRCP (0.52) PRCPDRD2DRD3HRH3PDE2A
SCHEMBL14749369 0.81 PRCP (0.59) PRCPDRD2DRD3PDE2ADRD4
SCHEMBL14749414 0.80 PRCP (0.51) PRCP
SCHEMBL14749379 0.80 PRCP (0.59) PRCPHRH3SLC6A4
SCHEMBL14749377 0.79 PRCP (0.51) PRCPDRD2DRD3PDE2ADRD4

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 1/4885HTR1A 4111/4885DRD2 4864/4885

“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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