SCHEMBL14749386

SCHEMBL14749386

CC(C)(C)c1ccccc1NC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.54
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 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
SCHEMBL12184175 0.87 PRCP (0.52) PRCPLMNATSHRCYP1A2CYP3A4
SCHEMBL14749385 0.86 PRCP (0.49) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749417 0.82 PRCP (0.51) PRCPLMNATSHRCYP1A2CYP3A4
SCHEMBL14749410 0.82 PRCP (0.49) PRCPLMNATSHRCYP1A2CYP3A4
SCHEMBL14749398 0.81 PRCP (0.53) PRCPLMNATSHRCYP1A2CYP3A4
SCHEMBL14736875 0.81 PRCP (0.59) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14736412 0.81 PRCP (0.53) PRCPLMNAHDAC1HDAC2POLB
SCHEMBL14749330 0.81 PRCP (0.57) PRCPPROKR1ALDH1A1SMN1; SMN2
SCHEMBL14749394 0.81 PRCP (0.56) PRCPLMNACYP2C9KMT2AMAPT
SCHEMBL12184132 0.80 PRCP (0.51) PRCPCYP2C9KMT2AALDH1A1SMN1; SMN2

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 1/4885LMNA 3736/4885TSHR 3548/4885

“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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