SCHEMBL14703650

SCHEMBL14703650

ICc1ccc(-c2cc(C3CCNCC3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 3/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ KHK P50053 6/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PLAT P00750 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ GABRA1 P14867 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38
▸ MAPT P10636 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
SCHEMBL2599117 0.85 PRCP (0.56) PRCPRAB9ASMN1; SMN2NPC1KHK
SCHEMBL16845859 0.73 SMYD3 (0.49) RAB9ASMN1; SMN2NPC1KHKALDH1A1
SCHEMBL14686651 0.72 PRCP (0.76) PRCPRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14691670 0.71 PRCP (0.69) PRCPHRH3MAPT
SCHEMBL7553650 0.70 PRCP (0.56) PRCPPLATGABRA1GABRB2
SCHEMBL2852407 0.70 CRACR2A (0.50) KHKKDM4EPLATALDH1A1TSHR
SCHEMBL12185513 0.70 PRCP (0.62) PRCPRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL12185619 0.70 PRCP (0.79) PRCPRAB9ASMN1; SMN2NPC1MEN1
Bromide SCHEMBL17927691 0.69 GABRA1 (0.48) KHKPLATALDH1A1TSHRGABRA1
SCHEMBL14686475 0.69 PRCP (0.56) PRCPPLAT

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 1/4885RAB9A 2222/4885SMN1; SMN2 4754/4885

“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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