SCHEMBL3700749

SCHEMBL3700749

CN1CCC(N(C(=O)NCCCc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.55
OPRM1 P35372 9/20 0.54
OPRK1 P41145 7/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
SLC22A1 O15245 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB1 P08183 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
MAOA P21397 1/20 0.54
DRD4 P21917 1/20 0.54
MAOB P27338 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
CHRNA4 P43681 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL5326160 0.93 OPRD1 (0.57) OPRD1OPRM1OPRK1ADRA1AADRA1B
SCHEMBL6315922 0.84 OPRM1 (0.54) OPRM1
SCHEMBL4981928 0.78 CCR5 (0.56) OPRD1
SCHEMBL13746185 0.78 CYP2C19 (0.62)
SCHEMBL341620 0.77 PKM (0.57) OPRM1ADRA1ACHRM1MAOAMAOB
SCHEMBL341621 0.76 PKM (0.65) OPRD1OPRM1CHRM1CHRM3MAOA
SCHEMBL4753533 0.75 CHRM3 (0.58) OPRD1OPRM1OPRK1ADRA1AADRA1B
SCHEMBL340688 0.74 PKM (0.57) OPRM1
SCHEMBL684578 0.74 OPRM1 (0.77) OPRD1OPRM1OPRK1ADRA1AADRA1B
SCHEMBL4922670 0.74 OPRM1 (0.56) OPRD1OPRM1

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-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 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 (2 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-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C OPRD1 57/4885OPRM1 93/4885OPRK1 61/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B OPRD1 111/4885OPRM1 193/4885OPRK1 114/4885

“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.