SCHEMBL2163224

SCHEMBL2163224

N#Cc1cccc(-c2ccc(C=O)nn2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.44
▸ CTSS P25774 3/20 0.39
▸ TERT O14746 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ SOS2 Q07890 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CTSK P43235 2/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ DAGLA Q9Y4D2 1/20 0.31

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
SCHEMBL9220648 0.77 CTSS (0.55) CES1CTSSIDH1NPY5RADORA2A
SCHEMBL29988787 0.77 CTSS (0.55) CES1CTSSIDH1NPY5RADORA2A
SCHEMBL3260499 0.76 TERT (0.40) CTSSTERTSOS2CCR1CTSK
SCHEMBL29956531 0.76 TERT (0.40) CTSSTERTSOS2CCR1CTSK
SCHEMBL13534793 0.76 ASIC3 (0.43) IDH1CCR1
SCHEMBL1771966 0.75 CTSS (0.53) CES1CTSSIDH1NPY5RADORA2A
SCHEMBL2162099 0.70 CES1 (0.54) CES1CTSSIDH1P2RX7DAGLA
SCHEMBL16180064 0.69 CTSS (0.56) CTSSUSP30CTSKP2RX7PIM1
SCHEMBL2161753 0.68 KDM4E (0.67) CCR1
SCHEMBL8406858 0.68 IDH1 (0.53) CES1CTSSIDH1NPY5RADORA2A

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 CES1 11/4885CTSS 874/4885TERT 4506/4885

“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.

Send feedback