SCHEMBL17557003

SCHEMBL17557003

CCCC1CCC(c2ccnc(OC(=O)O)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ HTR6 P50406 7/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CNR2 P34972 7/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL16057306 0.78 HTR6 (0.44) IDO1HTR6
SCHEMBL17556834 0.77 SSTR4 (0.44) IDO1CYP2C9MAPTCNR2CNR1
SCHEMBL17556833 0.77 SSTR4 (0.44) IDO1CYP2C9MAPTCNR2CNR1
SCHEMBL17557002 0.74 SSTR4 (0.39) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14912966 0.73 PDE10A (0.39) IDO1HTR6CNR2
SCHEMBL16057806 0.71 CNR2 (0.37) IDO1CNR2CNR1
SCHEMBL16058467 0.69 KDM5A (0.34) IDO1CYP2C9HTR6
SCHEMBL21836555 0.69 IDO1 (0.60) IDO1CYP2C9HTR6
SCHEMBL21836553 0.69 IDO1 (0.60) IDO1CYP2C9HTR6
SCHEMBL17556832 0.68 SSTR4 (0.44) IDO1CYP2C9MAPTCNR2CNR1

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-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

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 IDO1 1234/4885CYP2C9 1191/4885HTR6 2360/4885

“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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