SCHEMBL12183983

SCHEMBL12183983

O=C(Cc1cccc2ccccc12)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.64
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPK1 P28482 1/20 0.44
▸ SYK P43405 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ PAX8 Q06710 1/20 0.37
▸ NAMPT P43490 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
SCHEMBL14749285 0.92 KMT2A (0.55) PRCPKMT2AMEN1MAPK1SYK
SCHEMBL14686464 0.91 PRCP (0.76) PRCPKMT2AMEN1MAPK1SYK
SCHEMBL14749338 0.89 PRCP (0.65) PRCPKMT2ASYKKDM4EALDH1A1
SCHEMBL12184064 0.87 PRCP (0.83) PRCPSYKKDM4EALDH1A1SMN1; SMN2
SCHEMBL14749335 0.87 PRCP (0.64) PRCPKMT2AKDM4EALDH1A1
SCHEMBL14749320 0.86 PRCP (0.58) PRCPMAPK1SYKKDM4EALDH1A1
SCHEMBL14749319 0.84 PRCP (0.57) PRCPKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14749333 0.84 PRCP (0.59) PRCPKMT2AMEN1MAPK1KDM4E
SCHEMBL14752663 0.83 PRCP (0.56) PRCPMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14749316 0.83 PRCP (0.57) PRCPMAPK1KDM4EALDH1A1SMN1; 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 3 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
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 1/4885KMT2A 2172/4885MEN1 3238/4885

“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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