SCHEMBL1347563

SCHEMBL1347563

NC(=O)c1cc(F)cc(-c2ccc(CNCCC3CCCCC3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.42
HPGDS O60760 2/20 0.42
PPARA Q07869 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
MAP4K4 O95819 2/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 2/20 0.37
LDHA P00338 1/20 0.36
VNN1 O95497 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FAAH O00519 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CXCR4 P61073 1/20 0.35

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 0.87 KDM1A (0.47) HTR5AHPGDSOPRM1OPRD1OPRK1
SCHEMBL1345822 0.87 KDM1A (0.47) HTR5AHPGDSOPRM1OPRD1OPRK1
SCHEMBL1347687 0.83 OPRM1 (0.42) HTR5AOPRM1OPRD1OPRK1POLB
SCHEMBL1347774 0.79 MAPK14 (0.46) HTR5AOPRM1OPRD1OPRK1HDAC6
SCHEMBL1345424 0.79 OPRM1 (0.42) HTR5AOPRM1OPRD1OPRK1RAB9A
SCHEMBL1345704 0.78 KDM1A (0.46) HTR5AHPGDSOPRM1OPRD1OPRK1
SCHEMBL1347528 0.77 KDM1A (0.45) HTR5AHPGDSOPRM1OPRD1OPRK1
SCHEMBL13929390 0.75 KDM1A (0.47) HTR5AHPGDSOPRM1OPRD1OPRK1
SCHEMBL1347793 0.74 DHODH (0.44) OPRM1OPRD1OPRK1LDHAFAAH
SCHEMBL1348267 0.73 MEN1 (0.48) OPRM1OPRD1OPRK1FAAHHDAC6

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 HTR5A 207/4885HPGDS 1816/4885PPARA 127/4885

“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.