SCHEMBL17548554

SCHEMBL17548554

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PAX8 Q06710 1/20 0.40

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 0.76 ESR1 (0.47) ALDH1A1HTR2AHTR2CMEN1KMT2A
SCHEMBL17548404 0.75 HTR2A (0.48) ALDH1A1HTR2AHTR2C
SCHEMBL375036 0.74 OPRM1 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL7915425 0.72 ESR1 (0.53) ALDH1A1HTR2AHTR2CMEN1KMT2A
SCHEMBL13024122 0.70 ESR1 (0.60) ALDH1A1HTR2AHTR2CMEN1KMT2A
SCHEMBL4553629 0.69 ALDH1A1 (0.72) ALDH1A1PAX8
SCHEMBL23828847 0.67 DRD4 (0.46) ALDH1A1MEN1KMT2APAX8
SCHEMBL4884271 0.67 ESR1 (0.55) ALDH1A1HTR2AHTR2CMEN1KMT2A
SCHEMBL23828849 0.66 SLC2A1 (0.50) ALDH1A1MEN1KMT2APAX8
SCHEMBL6487558 0.66 KDM4E (0.63) ALDH1A1MEN1KMT2APAX8

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 ALDH1A1 1498/4885HTR2A 50/4885HTR2C 37/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 ALDH1A1 1498/4885HTR2A 50/4885HTR2C 37/4885

“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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