SCHEMBL14701325

SCHEMBL14701325

COC(=O)C(CN1CCC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CC1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 7/20 0.86
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ TACR3 P29371 1/20 0.40
▸ DRD4 P21917 2/20 0.39
▸ CCR5 P51681 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL12185577 0.93 PRCP (0.86) PRCPTACR3DRD4MAPTSMN1; SMN2
SCHEMBL12185627 0.92 PRCP (1.00) PRCPTP53ALDH1A1LMNAMAPT
SCHEMBL14701327 0.92 PRCP (0.84) PRCPADRA1DADRA1AADRA1BDRD4
SCHEMBL14701324 0.87 PRCP (0.66) PRCPADRA1DADRA1AADRA1BDRD4
SCHEMBL14701323 0.86 PRCP (0.84) PRCPADRA1DADRA1AADRA1BMEN1
SCHEMBL12185983 0.84 PRCP (0.85) PRCPDRD4DRD2DRD3
SCHEMBL12185582 0.83 PRCP (1.00) PRCPTP53ALDH1A1LMNAMAPT
SCHEMBL12185581 0.78 PRCP (1.00) PRCPDRD4DRD2DRD3KDM4E
SCHEMBL14701326 0.77 PRCP (0.83) PRCPDRD4DRD2DRD3TSHR
SCHEMBL14701354 0.77 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
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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