SCHEMBL16057936

SCHEMBL16057936

Cc1c(-c2ccc(C(C)(C)C)cc2)ccnc1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TOP2A P11388 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ DGAT1 O75907 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL14975894 0.84 PORCN (0.40) SMN1; SMN2MAPTTOP2AKDM5AKDM4C
SCHEMBL16057423 0.84 CCNC (0.39) ALDH1A1KDM4EKMT2A
SCHEMBL16056911 0.83 ACACB (0.35) TOP2AFFAR4KDM5AKDM4CKDM5B
SCHEMBL16057947 0.81 SLC22A12 (0.39) SMN1; SMN2MAPTFFAR4KDM5AKDM4C
SCHEMBL16056981 0.81 SLC6A7 (0.41) SMN1; SMN2MAPTKDM5AKDM4CKDM5B
SCHEMBL16057040 0.80 RAB9A (0.44) MAPTALDH1A1KMT2A
SCHEMBL16058150 0.78 PDE10A (0.40) SMN1; SMN2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL16058685 0.78 LMNA (0.39) L3MBTL1ALDH1A1KMT2A
SCHEMBL16058822 0.78 DHODH (0.47) MAPTL3MBTL1ALDH1A1DHODH
SCHEMBL16057745 0.77 CYP2D6 (0.49) SMN1; SMN2MAPTALDH1A1KDM4EKMT2A

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 KIF11 4586/4885SMN1; SMN2 1880/4885MAPT 929/4885

“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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