SCHEMBL16058727

SCHEMBL16058727

Cc1c(-c2ccc(-c3ccccc3)c(F)c2)ccnc1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.41
▸ AKR1C3 P42330 4/20 0.41
▸ AKR1C2 P52895 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ FABP2 P12104 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL16058822 0.89 DHODH (0.47) MAPT
SCHEMBL16057661 0.88 SLC2A1 (0.42) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14975894 0.87 PORCN (0.40) PTGS1MEN1KMT2ACYP1A2MAPT
SCHEMBL16058355 0.83 PORCN (0.41) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL16057029 0.81 KDM5A (0.40) MAPT
SCHEMBL16056981 0.81 SLC6A7 (0.41) CYP1A2MAPT
SCHEMBL16057338 0.80 KMO (0.44) MEN1KMT2AMAPTPSEN1PSEN2
SCHEMBL16057040 0.80 RAB9A (0.44) MEN1KMT2ALMNAMAPT
SCHEMBL16056701 0.80 KMO (0.41) AKR1C3AKR1C2MEN1KMT2A
SCHEMBL16057423 0.79 CCNC (0.39) MEN1KMT2AHPGD

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 PTGS1 801/4885AKR1C3 3107/4885AKR1C2 2865/4885

“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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