SCHEMBL16057846

SCHEMBL16057846

CCCCc1c(-c2ccc(OC)cc2)ccnc1OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ CCNB3 Q8WWL7 2/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ ZAP70 P43403 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ PTGS2 P35354 2/20 0.41
▸ DCTPP1 Q9H773 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CRHBP P24387 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
SCHEMBL16058089 0.87 RARB (0.39) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL16057516 0.85 TOP2A (0.42) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL16056843 0.81 CYP2C9 (0.44) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL16057745 0.79 CYP2D6 (0.49) KMT2ANPC1ALDH1A1MAPTRAB9A
SCHEMBL16057906 0.78 KDM5A (0.38) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL16057060 0.78 RARB (0.46) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL16058925 0.77 CYP1A2 (0.40) CYP2D6KDM4ECYP1A2FAAH
SCHEMBL16058834 0.74 CYP3A4 (0.42) PTGS2NPC1ALDH1A1MAPTRAB9A
SCHEMBL16058150 0.73 PDE10A (0.40) KMT2ANPC1ALDH1A1MAPTRAB9A
SCHEMBL16057331 0.70 DCTPP1 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B

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-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 — — US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 — — US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 — — 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 CCNB2 3711/4885CDK1 2853/4885CCNB1 3682/4885

“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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