SCHEMBL16448455

SCHEMBL16448455

CC(C)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.70
CYP2D6 P10635 4/20 0.70
CHRM2 P08172 3/20 0.70
ADRA2A P08913 3/20 0.70
CHRM1 P11229 3/20 0.70
DRD1 P21728 3/20 0.70
DRD3 P35462 3/20 0.70
SLC6A3 Q01959 3/20 0.70
KCNH2 Q12809 3/20 0.70
CHRM4 P08173 1/20 0.70
CHRM5 P08912 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CHRM3 P20309 1/20 0.70
ADRA1D P25100 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
HRH1 P35367 1/20 0.70
HTR2B P41595 1/20 0.70
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59

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
SCHEMBL13900811 0.89 KCNH2 (0.76) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL16769329 0.89 KCNH2 (0.76) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL8186671 0.89 OPRM1 (0.78) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL7977689 0.89 OPRM1 (0.78) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL3919536 0.89 OPRM1 (0.78) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL8175607 0.89 OPRM1 (0.78) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL16226967 0.85 CYP2D6 (0.83) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL7317034 0.84 OPRM1 (0.67) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL4249392 0.83 CYP2D6 (0.66) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL3977325 0.83 OPRM1 (0.66) OPRM1CYP2D6CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
WO-2018136555-A2 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-26 WO disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170002017-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 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 (4 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 OPRM1 3322/4885CYP2D6 2158/4885CHRM2 4812/4885
US-20170002017-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SNRPD2 OPRM1 713/4885CYP2D6 133/4885CHRM2 198/4885
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT OPRM1 1005/4885CYP2D6 318/4885CHRM2 76/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C OPRM1 1294/4885CYP2D6 873/4885CHRM2 939/4885

“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.