SCHEMBL1348415

SCHEMBL1348415

NC(=O)c1cccc(-c2ccc(CNCCc3ccc(Cl)c(Cl)c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
SIGMAR1 Q99720 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ADRB3 P13945 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 1/20 0.44
NR3C2 P08235 1/20 0.44
NR1I3 Q14994 2/20 0.42
ROCK1 Q13464 1/20 0.42
CSF1R P07333 1/20 0.42
FLT1 P17948 1/20 0.42
FLT3 P36888 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
SCHEMBL1347791 0.90 SLC6A2 (0.49) HDAC1SLC6A2SLC6A4SLC6A3CNR1
SCHEMBL1347660 0.88 MCHR1 (0.54) HDAC1OPRM1OPRD1OPRK1ADRB3
SCHEMBL1347867 0.85 OPRM1 (0.62) HDAC1SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL3341545 0.85 OPRM1 (0.62) HDAC1SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL1348145 0.84 OPRM1 (0.57) HDAC1OPRM1OPRD1OPRK1
SCHEMBL15434277 0.83 OPRM1 (0.50) HDAC1SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL1347601 0.83 KDM4E (0.56) HDAC1OPRM1OPRD1OPRK1ADRB3
SCHEMBL1786063 0.83 KDM4E (0.56) HDAC1OPRM1OPRD1OPRK1ADRB3
Hydrochloric Acid SCHEMBL3345306 0.82 KDM4E (0.55) HDAC1OPRM1OPRD1OPRK1ADRB3
SCHEMBL1345869 0.81 ALDH1A1 (0.51) HDAC1CYP2C9CYP2C19CNR1NR3C2

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-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 HDAC1 385/4885SIGMAR1 8/4885SLC6A2 750/4885

“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.