SCHEMBL1347426

SCHEMBL1347426

CC(C)(C)CCNCc1ccc(-c2cccc(C(N)=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
NR3C2 P08235 1/20 0.48
CSF1R P07333 1/20 0.47
FLT1 P17948 1/20 0.47
FLT3 P36888 1/20 0.47
CNR1 P21554 1/20 0.47
ERN1 O75460 1/20 0.44
DHODH Q02127 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
MGLL Q99685 1/20 0.43
HDAC1 Q13547 3/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ADAMTS4 O75173 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL13335610 0.85 NR3C2 (0.48) OPRM1OPRD1OPRK1NR3C2CSF1R
Hydrochloric Acid SCHEMBL3339644 0.84 NR3C2 (0.47) NR3C2CSF1RFLT1FLT3CNR1
SCHEMBL13335609 0.83 NR3C2 (0.47) NR3C2CSF1RFLT1FLT3CNR1
SCHEMBL1347468 0.82 HRH4 (0.60) OPRM1OPRD1OPRK1NR3C2CSF1R
SCHEMBL1345547 0.82 HDAC1 (0.58) OPRM1OPRD1OPRK1NR3C2CSF1R
Hydrochloric Acid SCHEMBL3338930 0.82 NR3C2 (0.46) NR3C2CSF1RFLT1FLT3CNR1
SCHEMBL1348568 0.81 HRH4 (0.58) OPRM1OPRD1OPRK1NR3C2CSF1R
SCHEMBL1347900 0.81 CNR1 (0.55) OPRM1OPRD1OPRK1NR3C2CNR1
SCHEMBL1347867 0.81 OPRM1 (0.62) OPRM1OPRD1OPRK1CNR1HDAC1
SCHEMBL3341545 0.81 OPRM1 (0.62) OPRM1OPRD1OPRK1CNR1HDAC1

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 6 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-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 OPRM1 1/4885OPRD1 3/4885OPRK1 4/4885

“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.