SCHEMBL25474392

SCHEMBL25474392

Cc1cccc([C@@H](CI)C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 1/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ AOC3 Q16853 1/20 0.36
▸ ACP3 P15309 1/20 0.36
▸ TACR1 P25103 2/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL25474461 1.00 HSD17B2 (0.37) HSD17B2SLC6A4SLC6A3SLC6A2ACHE
SCHEMBL25474388 0.83 SLC6A2 (0.43) HSD17B2SLC6A4SLC6A3SLC6A2ACHE
SCHEMBL25474391 0.83 SLC6A2 (0.43) HSD17B2SLC6A4SLC6A3SLC6A2ACHE
SCHEMBL9413697 0.77 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL25474510 0.76 ACP3 (0.38) HSD17B2SLC6A4SLC6A3SLC6A2ACP3
SCHEMBL7453051 0.76 PKM (0.40) SLC6A4SLC6A3SLC6A2
SCHEMBL25474509 0.74 SLC6A2 (0.37) HSD17B2SLC6A4SLC6A3SLC6A2AOC3
SCHEMBL18501542 0.74 FFAR1 (0.43) FFAR1
SCHEMBL25474463 0.74 ACP3 (0.39) HSD17B2SLC6A4SLC6A3SLC6A2AOC3
SCHEMBL18501544 0.74 FFAR1 (0.43) FFAR1

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-20230151037-A1 GPR40 AGONISTS KALLYOPE, INC. 2023-05-18 — — 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-20230151037-A1 GPR40 AGONISTS GPR119, GPR65, GLP1R HSD17B2 895/4885SLC6A4 596/4885SLC6A3 1288/4885

“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.

Send feedback