SCHEMBL1029346

SCHEMBL1029346

Cc1cccc(-c2ccccc2C(=O)N2CCC[C@@H](N)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
PDE2A O00408 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM1A O60341 2/20 0.46
HCRTR2 O43614 4/20 0.46
HCRTR1 O43613 3/20 0.46
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
PADI4 Q9UM07 1/20 0.45
CHRM3 P20309 3/20 0.45
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.43
MAP4K1 Q92918 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
SCHEMBL14775790 1.00 TSHR (0.50) TSHRRECQLCDK4CCND1PDE2A
SCHEMBL14775851 0.93 CDK4 (0.51) TSHRRECQLCDK4CCND1MEN1
SCHEMBL1141205 0.93 CDK4 (0.51) TSHRRECQLCDK4CCND1MEN1
SCHEMBL1030833 0.87 TSHR (0.67) TSHRRECQLPDE2AALDH1A1HCRTR2
SCHEMBL1141626 0.86 ALOX5AP (0.48) TSHRRECQLPDE2AKDM1AHCRTR2
SCHEMBL1141622 0.86 ALOX5AP (0.48) TSHRRECQLPDE2AKDM1AHCRTR2
SCHEMBL1030808 0.86 HCRTR1 (0.50) TSHRRECQLPDE2AALDH1A1HCRTR2
Hydrochloric Acid SCHEMBL1141654 0.85 ALOX5AP (0.47) TSHRRECQLPDE2AKDM1AHCRTR2
Hydrochloric Acid SCHEMBL1141657 0.85 ALOX5AP (0.47) TSHRRECQLPDE2AKDM1AHCRTR2
SCHEMBL1141279 0.76 CDK12 (0.44) PDE2AMEN1ALDH1A1KMT2AHCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 3196/4885CDK4 1154/4885

“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.