SCHEMBL16226508

SCHEMBL16226508

NCCC(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
HRH1 P35367 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD1 P21728 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49

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
SCHEMBL17086150 0.86 CYP1A2 (0.59) OPRM1HRH1CYP2D6HTR2AKCNH2
SCHEMBL5755490 0.84 CYP1A2 (0.62) OPRM1HRH1CYP2D6KCNH2OPRD1
Hydrochloric Acid SCHEMBL5755457 0.84 CYP1A2 (0.57) OPRM1HRH1CYP2D6HTR2AKCNH2
SCHEMBL1303683 0.81 DPP4 (0.53) OPRM1HRH1CYP2D6SLC6A3OPRD1
SCHEMBL8175607 0.79 OPRM1 (0.78) OPRM1HRH1CHRM2CHRM4CHRM5
SCHEMBL7977689 0.79 OPRM1 (0.78) OPRM1HRH1CHRM2CHRM4CHRM5
SCHEMBL3919536 0.79 OPRM1 (0.78) OPRM1HRH1CHRM2CHRM4CHRM5
SCHEMBL8186671 0.79 OPRM1 (0.78) OPRM1HRH1CHRM2CHRM4CHRM5
SCHEMBL6161637 0.78 KMT2A (0.68) OPRM1CYP2D6KMT2AMEN1OPRD1
SCHEMBL4249388 0.77 LMNA (0.60) OPRM1HRH1CHRM2CHRM4CHRM5

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 OPRM1 341/4885HRH1 972/4885CHRM2 2262/4885

“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.