SCHEMBL2163115

SCHEMBL2163115

OC(CCCCCCc1ccccc1)c1ccc(-c2cccs2)nn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 5/20 0.42
DAGLA Q9Y4D2 1/20 0.42
CES1 P23141 1/20 0.42
LTB4R Q15722 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL13534792 0.80 FAAH (0.42) FAAHCES1
SCHEMBL3225981 0.79 NPC1 (0.53) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL2161919 0.78 CES1 (0.48) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL2161738 0.76 ALDH1A1 (0.47) NPC1RAB9ATP53SMN1; SMN2FAAH
SCHEMBL2162714 0.75 FAAH (0.41) FAAHDAGLACES1LTB4R
SCHEMBL2162089 0.75 CES1 (0.57) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL2162896 0.74 FAAH (0.47) FAAHDAGLACES1LTB4R
SCHEMBL2163137 0.72 CES1 (0.62) FAAHDAGLACES1
SCHEMBL2161861 0.71 DAGLA (0.50) NPC1RAB9ATP53SMN1; SMN2FAAH
SCHEMBL2162150 0.71 CES1 (0.52) FAAHCES1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
WO-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 NPC1 1567/4885RAB9A 2964/4885TP53 4879/4885

“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.