SCHEMBL12184175

SCHEMBL12184175

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.52
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TRPV1 Q8NER1 3/20 0.42
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ SMO Q99835 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 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
SCHEMBL14749386 0.87 PRCP (0.54) PRCPLMNATSHRTRPV1MAPT
SCHEMBL14749398 0.84 PRCP (0.53) PRCPLMNATSHRMAPTNPSR1
SCHEMBL12184246 0.82 PRCP (0.51) PRCPLMNATSHRMAPTCYP1A2
SCHEMBL14749391 0.82 PRCP (0.51) PRCPLMNATSHRMAPTCYP1A2
SCHEMBL14749410 0.82 PRCP (0.49) PRCPLMNATSHRMAPTHTT
SCHEMBL14749385 0.82 PRCP (0.49) PRCPTRPV1MAPTCYP1A2CYP3A4
SCHEMBL14736875 0.81 PRCP (0.59) PRCPNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL14749417 0.81 PRCP (0.51) PRCPLMNATSHRSMN1; SMN2CYP1A2
SCHEMBL14749394 0.79 PRCP (0.56) PRCPLMNAMAPTCYP2C9ALDH1A1
SCHEMBL12184132 0.79 PRCP (0.51) PRCPSMN1; SMN2CYP2C9ALDH1A1

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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
WO-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — WO 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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