SCHEMBL17041024

SCHEMBL17041024

COC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ATM Q13315 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13535265 0.86 KDM4E (0.43) KDM4EMAPTCYP1A2LTA4H
SCHEMBL15713968 0.85 CYP1A2 (0.53) CYP1A2
SCHEMBL13535263 0.80 MAPT (0.52) BIRC2KDM4EMAPTATMKMT2A
SCHEMBL14064539 0.76 TRPA1 (0.41) CYP1A2
SCHEMBL20873382 0.74 MIF (0.54) ATMKMT2AMIFALDH1A1THRB
SCHEMBL20873383 0.74 MIF (0.54) ATMKMT2AMIFALDH1A1THRB
SCHEMBL17323076 0.74 MIF (0.54) ATMKMT2AMIFALDH1A1THRB
SCHEMBL14445173 0.74 CYP1A2 (0.50) BIRC2ATMKMT2ACYP1A2CA12
SCHEMBL23551742 0.73 ALDH1A1 (0.45) BIRC2ATMKMT2ACA12CA2
SCHEMBL29439309 0.73 ALDH1A1 (0.45) BIRC2ATMKMT2ACA12CA2

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-20150241410-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-20150239831-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — 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-20150239831-A1 INHIBITORS OF CENTRAL NERVOUS SYSTEM VASOACTIVE INHIBITORY PEPTIDE RECEPTOR 2 VIPR2, VIPR1, NTSR2 BIRC2 837/4885KDM4E 2698/4885MAPT 1095/4885

“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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