SCHEMBL14701414

SCHEMBL14701414

CO[C@@H](CN1CCC(c2nc(-c3ccc(C)cc3)nn2-c2ncccn2)CC1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.85
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ AVPR1A P37288 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DRD2 P14416 1/20 0.31

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
SCHEMBL12185617 0.92 PRCP (1.00) PRCPLMNATSHR
SCHEMBL14686509 0.92 PRCP (1.00) PRCPLMNATSHR
SCHEMBL14701324 0.83 PRCP (0.66) PRCPADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL2599371 0.78 PRCP (0.76) PRCPCYP3A4HTTTSHRNPSR1
SCHEMBL12186041 0.78 PRCP (0.69) PRCPCYP3A4TSHRNPSR1
SCHEMBL14686658 0.71 PRCP (0.72) PRCPDRD4DRD2DRD3
SCHEMBL12186035 0.71 PRCP (0.68) PRCPCYP3A4TSHRDRD4DRD2
SCHEMBL14701323 0.70 PRCP (0.84) PRCPADRA1DADRA1AADRA1B
SCHEMBL14701325 0.70 PRCP (0.86) PRCPADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL14686543 0.69 PRCP (0.64) PRCPSMN1; SMN2HTTLMNATSHR

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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