SCHEMBL4910139

SCHEMBL4910139

CCCCCCNc1nc2ccccc2n1C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
KCNH2 Q12809 1/20 0.44
OGFRL1 Q5TC84 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.40
TSHR P16473 1/20 0.40
CYP4Z1 Q86W10 4/20 0.40
ASAH1 Q13510 1/20 0.40
SLC2A1 P11166 1/20 0.40
HDAC1 Q13547 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
ELANE P08246 2/20 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
SCHEMBL4918658 0.91 NR4A2 (0.45) NR4A2KCNH2OGFRL1OPRM1OPRD1
SCHEMBL4918096 0.87 TSHR (0.41) KCNH2OGFRL1OPRM1OPRD1OPRK1
SCHEMBL4918061 0.81 NR4A2 (0.46) NR4A2KCNH2OGFRL1OPRM1OPRD1
SCHEMBL4920409 0.79 OPRM1 (0.45) NR4A2KCNH2OGFRL1OPRM1OPRD1
SCHEMBL4910158 0.79 CYP1A2 (0.50) NR4A2KCNH2OGFRL1OPRM1OPRD1
SCHEMBL4915657 0.77 OGFRL1 (0.43) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3295283 0.77 HDAC1 (0.58) HDAC1
SCHEMBL7096897 0.76 OPRM1 (0.47) KCNH2OGFRL1OPRM1OPRD1OPRK1
SCHEMBL4917927 0.76 KCNH2 (0.44) KCNH2TSHR
SCHEMBL4916973 0.75 OPRM1 (0.57) NR4A2KCNH2OGFRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7244744-B2 Piperidines ICAGEN, INC. (US) 2007-07-17 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 (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-20080058376-A1 PIPERIDINES TRPV3, SCN3A, TRPV1 NR4A2 2492/4885KCNH2 20/4885OGFRL1 1754/4885

“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.