SCHEMBL19873841

SCHEMBL19873841

COc1ccc2c(c1)C(C)CN(C1CCN(CC(C)(C)C(=O)O)CC1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.41
▸ HTR2A P28223 2/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KDM2B Q8NHM5 4/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL21900241 0.83 ALDH1A1 (0.38) MEN1KMT2AMAPTBTK
SCHEMBL19873878 0.83 HTR2C (0.42) HTR2CHTR2AIDH1CHRM3CHRM2
SCHEMBL19874007 0.78 HTR2C (0.40) HTR2CHTR2ACHRM3CHRM2
SCHEMBL19873973 0.70 HTR2A (0.39) HTR2CHTR2ADRD2TLR8TLR7
SCHEMBL6166885 0.65 CHRM3 (0.52) HTR2CHTR2AMEN1KMT2ACHRM3
SCHEMBL4079721 0.65 PDE3B (0.41) HTR2CKMT2A
SCHEMBL2262403 0.64 CHRM3 (0.57) HTR2CHTR2AKMT2ACHRM3CHRM2
SCHEMBL3963894 0.64 PDE3B (0.40) HTR2CHTR2AKMT2ACHRM3CHRM2
SCHEMBL4079724 0.64 PDE3B (0.40) HTR2CHTR2AKMT2A
SCHEMBL30178610 0.64 ALDH1A1 (0.51) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 — — US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 — — 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 HTR2C 291/4885HTR2A 231/4885IDH1 3084/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR HTR2C 245/4885HTR2A 183/4885IDH1 3178/4885

“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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