SCHEMBL17548404

SCHEMBL17548404

CN(C)CC(O)(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.48
▸ HTR2C P28335 3/20 0.48
▸ DRD2 P14416 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL9755705 0.77 ESR1 (0.47) HTR2AHTR2CALDH1A1ESR1ESR2
SCHEMBL17548554 0.75 ALDH1A1 (0.43) HTR2AHTR2CALDH1A1
SCHEMBL7915425 0.73 ESR1 (0.53) HTR2AHTR2CALDH1A1SMN1; SMN2ESR1
SCHEMBL13024122 0.71 ESR1 (0.60) HTR2AHTR2CDRD2ALDH1A1ESR1
SCHEMBL4884271 0.68 ESR1 (0.55) HTR2AHTR2CALDH1A1ESR1ESR2
SCHEMBL11495830 0.67 HTR2A (0.71) HTR2AHTR2CDRD2ESR1ESR2
SCHEMBL28906358 0.66 ESR1 (0.57) HTR2AHTR2CDRD2ALDH1A1ESR1
Water SCHEMBL11573403 0.65 SMN1; SMN2 (0.50) HTR2AHTR2CDRD2ALDH1A1SMN1; SMN2
SCHEMBL7646413 0.65 HTR2A (1.00) HTR2AHTR2CDRD2HTR6
SCHEMBL7276308 0.64 HTR2A (0.57) HTR2AHTR2CALDH1A1

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 HTR2A 50/4885HTR2C 37/4885DRD2 287/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 HTR2A 50/4885HTR2C 37/4885DRD2 287/4885

“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.

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