SCHEMBL18862951

SCHEMBL18862951

O=C(O)N1CCC1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
MC4R P32245 2/20 0.48
MC3R P41968 2/20 0.48
MC1R Q01726 2/20 0.48
ABCB1 P08183 1/20 0.48
SCD5 Q86SK9 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
TACR3 P29371 1/20 0.45
ABHD6 Q9BV23 4/20 0.45
DAGLA Q9Y4D2 4/20 0.45

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
SCHEMBL18862950 1.00 HSD11B1 (0.48) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL908981 0.90 SCD5 (0.57) HSD11B1MC4RMC3RMC1RSCD5
SCHEMBL23459127 0.90 SCD5 (0.57) HSD11B1MC4RMC3RMC1RSCD5
SCHEMBL4964339 0.88 HSD11B1 (0.61) HSD11B1SCD5GABRA1GABRG2GABRB3
SCHEMBL4629395 0.88 HSD11B1 (0.61) HSD11B1SCD5GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL29238125 0.87 HSD11B1 (0.60) HSD11B1SCD5GABRA1GABRG2GABRB3
SCHEMBL11760424 0.86 HSD11B1 (0.46) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL5800629 0.86 TACR1 (0.46) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL13722390 0.85 TACR1 (0.46) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL29187960 0.85 TACR1 (0.52) HSD11B1MC4RMC3RMC1RABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 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 (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-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 HSD11B1 766/4885MC4R 1088/4885MC3R 1501/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 HSD11B1 766/4885MC4R 1088/4885MC3R 1501/4885

“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.