SCHEMBL4918658

SCHEMBL4918658

CCCNc1nc2ccccc2n1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.45
KCNH2 Q12809 1/20 0.45
OGFRL1 Q5TC84 5/20 0.43
OPRL1 P41146 3/20 0.43
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
LCK P06239 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL4910139 0.91 NR4A2 (0.44) NR4A2KCNH2OGFRL1OPRL1OPRM1
SCHEMBL4915657 0.86 OGFRL1 (0.43) OGFRL1OPRL1OPRM1OPRD1OPRK1
SCHEMBL4918061 0.85 NR4A2 (0.46) NR4A2KCNH2OGFRL1OPRL1OPRM1
SCHEMBL4920409 0.83 OPRM1 (0.45) NR4A2KCNH2OGFRL1OPRL1OPRM1
SCHEMBL4910158 0.82 CYP1A2 (0.50) NR4A2KCNH2OGFRL1OPRL1OPRM1
SCHEMBL4915316 0.78 HDAC3 (0.55) OGFRL1TP53HDAC3HDAC1HDAC10
SCHEMBL3291520 0.78 TP53 (0.49) OGFRL1OPRL1OPRM1OPRD1OPRK1
SCHEMBL4918096 0.77 TSHR (0.41) KCNH2OGFRL1OPRL1OPRM1OPRD1
Hydrochloric Acid SCHEMBL3289617 0.76 TP53 (0.48) OGFRL1OPRL1OPRM1OPRD1OPRK1
SCHEMBL4916973 0.76 OPRM1 (0.57) NR4A2KCNH2OGFRL1OPRL1OPRM1

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.