SCHEMBL19701802

SCHEMBL19701802

CC1(O)CC(C(=O)O)(c2cccc(Br)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 1/20 0.42
AKR1C1 Q04828 1/20 0.39
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL19280315 1.00 HCAR3 (0.45) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19690120 1.00 HCAR3 (0.45) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19280330 1.00 HCAR3 (0.45) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL31507287 0.89 HCAR3 (0.46) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19690315 0.84 PIK3CD (0.41) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19690139 0.84 MEN1 (0.43) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19280254 0.84 PIK3CD (0.41) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19690140 0.84 MEN1 (0.43) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19690193 0.84 MEN1 (0.43) HCAR3HCAR2CHRNA1CHRNGCHRNB1
SCHEMBL19690314 0.84 PIK3CD (0.41) HCAR3HCAR2CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (1 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 HCAR3 155/4885HCAR2 916/4885CHRNA1 1244/4885

“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.