SCHEMBL1345822

SCHEMBL1345822

NC(=O)c1cccc(-c2ccc(CNCCC3CCCCC3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
HTR5A P47898 2/20 0.46
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HPGDS O60760 1/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
FAAH O00519 1/20 0.41
TRPA1 O75762 1/20 0.41
EPHX2 P34913 1/20 0.41
FAAH2 Q6GMR7 1/20 0.41
MGLL Q99685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ACP1 P24666 1/20 0.40
FYN P06241 1/20 0.40
CDK2 P24941 1/20 0.40
NEK2 P51955 1/20 0.40

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
SCHEMBL1347678 1.00 KDM1A (0.47) KDM1AHTR5AOPRM1OPRD1OPRK1
SCHEMBL1345704 0.90 KDM1A (0.46) KDM1AHTR5AOPRM1OPRD1OPRK1
SCHEMBL1347528 0.89 KDM1A (0.45) KDM1AHTR5AOPRM1OPRD1OPRK1
SCHEMBL13929390 0.87 KDM1A (0.47) KDM1AHTR5AOPRM1OPRD1OPRK1
SCHEMBL1347563 0.87 HTR5A (0.42) HTR5AOPRM1OPRD1OPRK1CYP11B1
SCHEMBL1348267 0.86 MEN1 (0.48) OPRM1OPRD1OPRK1FAAHTRPA1
SCHEMBL1347674 0.85 OPRM1 (0.48) OPRM1OPRD1OPRK1FAAHTRPA1
SCHEMBL1347793 0.84 DHODH (0.44) OPRM1OPRD1OPRK1LDHALDHB
SCHEMBL1347774 0.83 MAPK14 (0.46) HTR5AOPRM1OPRD1OPRK1HDAC6
SCHEMBL1347687 0.83 OPRM1 (0.42) HTR5AOPRM1OPRD1OPRK1HDAC6

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 KDM1A 2408/4885HTR5A 207/4885OPRM1 1/4885

“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.