Sugi Predict

Sugi Predict / Compounds / SCHEMBL17645293

SCHEMBL17645293

SCHEMBL17645293

Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCO[N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 14/20 0.69
▸ CNR2 P34972 6/20 0.69
▸ CYP2C9 P11712 3/20 0.66
▸ GPR55 Q9Y2T6 3/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ ABCC4 O15439 1/20 0.57
▸ MLNR O43193 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ ADRA2C P18825 1/20 0.57

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
SCHEMBL31529047 1.00 CNR1 (0.69) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL31528970 0.96 CNR2 (0.67) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL17645134 0.93 CNR1 (0.60) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL29471328 0.93 CNR1 (0.80) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL662960 0.93 CNR1 (0.80) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL31528996 0.92 CNR1 (0.59) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL17645256 0.92 CNR1 (0.58) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL31529005 0.92 CNR1 (0.58) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL16136716 0.91 CNR1 (0.78) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL20472783 0.89 CNR1 (0.69) CNR1CNR2CYP2C9GPR55ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053444-B2 Cannabinergic nitrate esters and related analogs UNIVERSITY OF CONNECTICUT (US) 2018-08-21 — — US claimed
US-10053444-B2 Cannabinergic nitrate esters and related analogs UNIVERSITY OF CONNECTICUT (US) 2018-08-21 — — US disclosed
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs UNIVERSITY OF CONNECTICUT 2017-01-05 — — US disclosed
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2016-04-07 — — 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 (3 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-10053444-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, NOS3 CNR1 2/4885CNR2 1/4885CYP2C9 239/4885
US-20160096822-A1 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR1 2/4885CNR2 1/4885CYP2C9 415/4885
US-20170001980-A9 Novel Cannabinergic Nitrate Esters and Related Analogs CNR2, CNR1, CHRNB4 CNR1 2/4885CNR2 1/4885CYP2C9 415/4885

“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.