SCHEMBL14701324

SCHEMBL14701324

CO[C@@H](CN1CCC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 9/20 0.66
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DRD4 P21917 2/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.32

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
SCHEMBL14701323 0.88 PRCP (0.84) PRCPADRA1DADRA1AADRA1BTLR9
SCHEMBL14701325 0.87 PRCP (0.86) PRCPADRA1DADRA1AADRA1BNPC1
SCHEMBL14701327 0.85 PRCP (0.84) PRCPADRA1DADRA1AADRA1BNPC1
SCHEMBL14686508 0.83 PRCP (0.65) PRCPHRH3ALDH1A1DRD4DRD2
SCHEMBL14701414 0.83 PRCP (0.85) PRCPADRA1DADRA1AADRA1BNPC1
SCHEMBL14701326 0.81 PRCP (0.83) PRCPALDH1A1DRD4DRD2DRD3
SCHEMBL12185577 0.80 PRCP (0.86) PRCPMAPTSMN1; SMN2DRD4
SCHEMBL12185581 0.79 PRCP (1.00) PRCPDRD4DRD2DRD3KDM4E
SCHEMBL12185627 0.79 PRCP (1.00) PRCPALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL14701354 0.79 PRCP (0.84) PRCPKDM4ETP53ALOX15TSHR

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-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — 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-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885ADRA1D 4528/4885ADRA1A 4611/4885

“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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