SCHEMBL14939847

SCHEMBL14939847

Cc1cccc(C=O)c1-n1nccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
POLB P06746 1/20 0.36
ERN1 O75460 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
DPP4 P27487 3/20 0.33
ELANE P08246 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33

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
SCHEMBL14886143 0.80 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AHCRTR1
SCHEMBL16767223 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTRIM24TRIM33MEN1
SCHEMBL16767641 0.79 ALDH1A1 (0.35) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL16031729 0.79 ERN1 (0.47) TRIM24TRIM33MEN1KMT2ALMNA
SCHEMBL27883271 0.73 ALDH1A1 (0.43) ALDH1A1TSHRTRIM24TRIM33MEN1
SCHEMBL14951333 0.72 P2RX7 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14886142 0.72 ACHE (0.43) ALDH1A1MEN1KMT2AHCRTR1HCRTR2
SCHEMBL20578843 0.71 HCRTR1 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL27900613 0.71 HCRTR1 (0.50) KMT2AHCRTR1HCRTR2ELANE
SCHEMBL17071985 0.70 HCRTR1 (0.49) HCRTR1HCRTR2ELANE

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
EP-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP claimed
CN-102781942-A Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2012-11-14 CN claimed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US disclosed
EP-2776430-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-09-17 EP disclosed
WO-2013068935-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed
CN-102781942-A Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2012-11-14 CN 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 1156/4885TSHR 124/4885TRIM24 4371/4885

“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.