SCHEMBL16057745

SCHEMBL16057745

CCCCOc1ccc(-c2ccnc(OC(=O)O)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ NPC1 O15118 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ RARB P10826 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL16058834 0.95 CYP3A4 (0.42) CYP2D6CYP3A4NPC1LMNACYP1A2
SCHEMBL16057060 0.86 RARB (0.46) CYP3A4LMNACYP1A2RARBKDM4E
SCHEMBL16058150 0.83 PDE10A (0.40) NPC1RARBSMN1; SMN2KDM4EALDH1A1
SCHEMBL16057947 0.83 SLC22A12 (0.39) NPC1SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL16056911 0.80 ACACB (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL16057846 0.79 CCNB2 (0.45) CYP2D6CYP3A4NPC1CYP1A2SMN1; SMN2
SCHEMBL16056981 0.77 SLC6A7 (0.41) NPC1CYP1A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL16058089 0.75 RARB (0.39) CYP3A4LMNACYP1A2RARBSMN1; SMN2
SCHEMBL16057661 0.74 SLC2A1 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL16057338 0.74 KMO (0.44) CYP3A4RAB9AMAPTKMT2A

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 CYP2D6 2197/4885CYP3A4 1429/4885NPC1 403/4885

“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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