SCHEMBL16058925

SCHEMBL16058925

CCCCc1c(-c2ccccn2)ccnc1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ KDM3A Q9Y4C1 1/20 0.36
▸ FAAH O00519 3/20 0.36
▸ CES1 P23141 2/20 0.36

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
SCHEMBL16057906 0.84 KDM5A (0.38) CYP1A2TDP1LMNAKDM4EKDM4C
SCHEMBL16056843 0.80 CYP2C9 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16058089 0.78 RARB (0.39) CYP1A2TDP1LMNAKDM4E
SCHEMBL16057846 0.77 CCNB2 (0.45) CYP1A2CYP2D6KDM4EFAAH
SCHEMBL16057516 0.76 TOP2A (0.42) KDM4E
SCHEMBL16057532 0.72 MAPT (0.39) TDP1BRD9BAZ2B
SCHEMBL16057060 0.72 RARB (0.46) CYP1A2TDP1LMNAKDM4E
SCHEMBL28444661 0.70 SMN1; SMN2 (0.45) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Dipyridyl SCHEMBL28121939 0.69 CYP1A2 (0.56) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16057138 0.69 PPARA (0.48) KDM4E

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 CYP1A2 930/4885CYP2D6 2197/4885CYP19A1 1059/4885

“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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