SCHEMBL4920409

SCHEMBL4920409

CNc1nc2ccccc2n1C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.45
OPRD1 P41143 5/20 0.45
OPRK1 P41145 5/20 0.45
OGFRL1 Q5TC84 4/20 0.45
OPRL1 P41146 4/20 0.44
NR4A2 P43354 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TP53 P04637 2/20 0.43
CCR5 P51681 1/20 0.41
IDH1 O75874 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALK Q9UM73 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL4919026 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL4915316 0.83 HDAC3 (0.55) OGFRL1HDAC3HDAC1HDAC10HDAC6
SCHEMBL4918658 0.83 NR4A2 (0.45) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL4916973 0.81 OPRM1 (0.57) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL7587030 0.81 CCR5 (0.54) OPRM1OPRD1OPRK1OGFRL1TP53
SCHEMBL13543535 0.81 CCR5 (0.44) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL3528714 0.81 CCR5 (0.44) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL4910158 0.80 CYP1A2 (0.50) OPRM1OPRD1OPRK1OGFRL1OPRL1
Hydrochloric Acid SCHEMBL4379304 0.79 CCR5 (0.53) OPRM1OPRD1OPRK1OGFRL1TP53
SCHEMBL4910139 0.79 NR4A2 (0.44) OPRM1OPRD1OPRK1OGFRL1OPRL1

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 OPRM1 339/4885OPRD1 267/4885OPRK1 191/4885

“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.