SCHEMBL268593

SCHEMBL268593

O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](Nc2ncc(Br)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
RECQL P46063 1/20 0.51
CCNK O75909 3/20 0.48
CDK12 Q9NYV4 3/20 0.48
KMT2A Q03164 2/20 0.47
SLC6A7 Q99884 1/20 0.47
PDE2A O00408 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HCRTR1 O43613 5/20 0.45
HCRTR2 O43614 5/20 0.45
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
MNAT1 P51948 2/20 0.43
GAA P10253 1/20 0.43
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL268594 1.00 TSHR (0.51) TSHRRECQLCCNKCDK12KMT2A
SCHEMBL271268 0.90 HCRTR2 (0.48) CCNKCDK12KMT2AHCRTR1HCRTR2
SCHEMBL271269 0.90 HCRTR2 (0.48) CCNKCDK12KMT2AHCRTR1HCRTR2
SCHEMBL268632 0.90 GFER (0.50) CCNKCDK12KMT2ACCNA2CDK2
SCHEMBL268633 0.90 GFER (0.50) CCNKCDK12KMT2ACCNA2CDK2
SCHEMBL269520 0.89 CCNK (0.47) CCNKCDK12KMT2AHCRTR1HCRTR2
SCHEMBL269519 0.89 CCNK (0.47) CCNKCDK12KMT2AHCRTR1HCRTR2
SCHEMBL269121 0.88 POLB (0.48) CCNKCDK12KMT2AHCRTR1ALOX5AP
SCHEMBL269120 0.88 POLB (0.48) CCNKCDK12KMT2AHCRTR1ALOX5AP
SCHEMBL3818135 0.85 CCNK (0.47) CCNKCDK12KMT2AHCRTR1HCRTR2

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 8 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 claimed
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 claimed
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 claimed
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 TSHR 71/4885RECQL 3196/4885CCNK 2134/4885

“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.