SCHEMBL269594

SCHEMBL269594

Cc1nc2sccn2c1C(=O)N[C@@H]1CCCNC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.52
GUCY1A2 P33402 1/20 0.52
GUCY1A1 Q02108 1/20 0.52
GUCY1B1 Q02153 1/20 0.52
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.44
OPRK1 P41145 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
SCHEMBL14231831 0.78 GUCY1B2 (0.66) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL269796 0.74 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL269797 0.74 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL15631088 0.73 GUCY1B2 (0.78) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL15631081 0.73 GUCY1B2 (0.78) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
Hydrochloric Acid SCHEMBL1398882 0.72 MAPK1 (0.48) HCRTR1HCRTR2MAPK1
Hydrochloric Acid SCHEMBL15608865 0.70 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL2440747 0.69 HCRTR1 (0.43) HCRTR1HCRTR2MAPK1
SCHEMBL16333688 0.69 PBK (0.51) MAPK1OPRK1
SCHEMBL16333685 0.69 PBK (0.51) MAPK1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-18 US disclosed
EP-2094685-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 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-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS HCRTR1, HCRTR2, NPY1R GUCY1B2 2646/4885GUCY1A2 2635/4885GUCY1A1 1929/4885

“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.