SCHEMBL4916973

SCHEMBL4916973

c1ccc2c(c1)nc(NC1CCCCC1)n2C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.57
OPRD1 P41143 5/20 0.57
OGFRL1 Q5TC84 5/20 0.57
OPRK1 P41145 4/20 0.57
NR4A2 P43354 1/20 0.51
KCNH2 Q12809 1/20 0.51
OPRL1 P41146 2/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
LCK P06239 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK8 P45983 1/20 0.44
TOP2A P11388 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4920409 0.81 OPRM1 (0.45) OPRM1OPRD1OGFRL1OPRK1NR4A2
SCHEMBL7094966 0.80 OPRM1 (0.51) OPRM1OPRD1OGFRL1OPRK1NR4A2
SCHEMBL6593964 0.80 KCNH2 (0.52) OPRM1OPRD1OGFRL1OPRK1KCNH2
SCHEMBL4915316 0.79 HDAC3 (0.55) OGFRL1HDAC3HDAC1HDAC10HDAC6
SCHEMBL6992893 0.77 KCNH2 (0.59) OPRM1OPRD1OGFRL1OPRK1NR4A2
SCHEMBL7094995 0.76 OPRM1 (0.46) OPRM1OPRD1OGFRL1OPRK1KCNH2
SCHEMBL4910158 0.76 CYP1A2 (0.50) OPRM1OPRD1OGFRL1OPRK1NR4A2
SCHEMBL4918658 0.76 NR4A2 (0.45) OPRM1OPRD1OGFRL1OPRK1NR4A2
Hydrochloric Acid SCHEMBL5009615 0.76 KCNH2 (0.58) OPRM1OPRD1OGFRL1OPRK1NR4A2
SCHEMBL4910139 0.75 NR4A2 (0.44) OPRM1OPRD1OGFRL1OPRK1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 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 OPRM1 339/4885OPRD1 267/4885OGFRL1 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.