SCHEMBL19873973

SCHEMBL19873973

CSc1ccc2c(c1)CCN(C1CCN(CC(C)(C)C(=O)O)CC1)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CALCRL Q16602 10/20 0.36
▸ CHRM4 P08173 2/20 0.35
▸ DRD2 P14416 5/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ RAMP1 O60894 2/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL19873878 0.85 HTR2C (0.42) HTR2ACALCRLCHRM4DRD2HTR2C
SCHEMBL21900259 0.83 CALCRL (0.40) CALCRLRAMP1USP2
SCHEMBL30178430 0.80 GPR119 (0.49) CALCRLRAMP1
SCHEMBL17881255 0.78 MAPK1 (0.39) HTR2ACALCRLHTR2CCHRM1USP2
SCHEMBL19873841 0.70 HTR2C (0.41) HTR2ADRD2HTR2CTLR8TLR7
SCHEMBL13806416 0.66 CALCRL (0.41) CALCRLCHRM4RAMP1
SCHEMBL4079721 0.66 PDE3B (0.41) CALCRLHTR2CRAMP1
SCHEMBL2262403 0.65 CHRM3 (0.57) HTR2ADRD2HTR2CDRD4
SCHEMBL13884862 0.65 FPR2 (0.49) CALCRLRAMP1
SCHEMBL1700420 0.65 AHR (0.43) CALCRLHTR2CRAMP1DRD4

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 HTR2A 231/4885HRH1 18/4885CALCRL 2/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR HTR2A 183/4885HRH1 14/4885CALCRL 8/4885

“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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