SCHEMBL2740465

SCHEMBL2740465

O=C(c1cc(Cl)ccc1Cl)N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.68
TSHR P16473 2/20 0.68
LMNA P02545 1/20 0.68
ALOX15 P16050 1/20 0.68
KDM4E B2RXH2 1/20 0.68
RXFP1 Q9HBX9 1/20 0.67
HSP90AA1 P07900 1/20 0.59
HRH4 Q9H3N8 2/20 0.56
HSD17B10 Q99714 1/20 0.54
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PTGS2 P35354 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CNR2 P34972 1/20 0.48
MGLL Q99685 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
Hydrochloric Acid SCHEMBL225600 0.98 TP53 (0.66) TP53TSHRLMNAALOX15KDM4E
SCHEMBL11713011 0.88 LMNA (0.84) TP53TSHRLMNAALOX15KDM4E
SCHEMBL20798227 0.84 RXFP1 (0.55) TP53TSHRLMNAALOX15KDM4E
SCHEMBL15597413 0.84 RXFP1 (0.63) TP53TSHRLMNAALOX15KDM4E
SCHEMBL6422572 0.83 TSHR (0.71) TP53TSHRLMNAALOX15KDM4E
SCHEMBL14825161 0.83 TSHR (0.77) TP53TSHRLMNAALOX15KDM4E
SCHEMBL15597548 0.82 RXFP1 (0.60) TP53TSHRLMNAALOX15KDM4E
SCHEMBL1042677 0.81 KDM4E (1.00) TP53TSHRLMNAALOX15KDM4E
Hydrochloric Acid SCHEMBL15567117 0.80 RXFP1 (0.54) RXFP1HSP90AA1HRH4PTGS2SCN5A
SCHEMBL6673835 0.80 RXFP1 (1.00) LMNAKDM4ERXFP1HSP90AA1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (4 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 TP53 4656/4885TSHR 1788/4885LMNA 4739/4885
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TP53 4752/4885TSHR 4601/4885LMNA 2028/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 TP53 4656/4885TSHR 1788/4885LMNA 4739/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TP53 4752/4885TSHR 4601/4885LMNA 2028/4885

“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.