SCHEMBL17548633

SCHEMBL17548633

Cn1c(-c2ccccc2)c(C(C[N+](=O)[O-])c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
CNR1 P21554 17/20 0.53
CNR2 P34972 1/20 0.53

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
SCHEMBL15099337 0.84 MEN1 (0.46) MEN1NPC1POLBKMT2ACNR1
SCHEMBL17548553 0.80 CNR1 (0.57) MEN1NPC1POLBKMT2ACNR1
SCHEMBL20408186 0.80 ALDH1A1 (0.48) NPC1
SCHEMBL9658006 0.76 ALDH1A1 (0.51) NPC1KMT2A
SCHEMBL18288173 0.72 MEN1 (1.00) MEN1NPC1POLBKMT2ACNR1
SCHEMBL28829653 0.72 MAPT (0.57) MEN1NPC1KMT2A
SCHEMBL9202581 0.70 NPC1 (0.56) MEN1NPC1POLBKMT2ACNR1
SCHEMBL15094521 0.69 CNR1 (1.00) CNR1CNR2
SCHEMBL30571176 0.69 CNR1 (1.00) CNR1CNR2
SCHEMBL15094519 0.69 CNR1 (1.00) CNR1CNR2

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-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 WO 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 MEN1 3818/4885NPC1 576/4885POLB 4442/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 MEN1 3818/4885NPC1 576/4885POLB 4442/4885

“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.