SCHEMBL21610474

SCHEMBL21610474

CC(C)C[C@H](CN)Cc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.62
▸ TAAR1 Q96RJ0 3/20 0.47
▸ AOC3 Q16853 1/20 0.45
▸ CYP3A4 P08684 2/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ AGXT P21549 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HTR3E A5X5Y0 3/20 0.40
▸ HTR3B O95264 3/20 0.40
▸ HTR3A P46098 3/20 0.40
▸ HTR3D Q70Z44 3/20 0.40
▸ HTR3C Q8WXA8 3/20 0.40
▸ MAOB P27338 2/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL21610464 1.00 PNMT (0.62) PNMTTAAR1AOC3CYP3A4IDO1
SCHEMBL21610466 1.00 PNMT (0.62) PNMTTAAR1AOC3CYP3A4IDO1
SCHEMBL23750242 0.81 PNMT (0.57) PNMTTAAR1AOC3CYP3A4IDO1
SCHEMBL21610469 0.79 TAAR1 (0.52) TAAR1
SCHEMBL21610477 0.79 TAAR1 (0.52) TAAR1
SCHEMBL21610472 0.79 TAAR1 (0.52) TAAR1
SCHEMBL777207 0.79 PNMT (0.74) PNMTTAAR1AOC3CYP3A4IDO1
SCHEMBL13302617 0.78 PNMT (0.62) PNMTTAAR1AOC3CYP3A4IDO1
SCHEMBL23750225 0.78 PNMT (0.54) PNMTTAAR1TSHRRECQLHTR3E
SCHEMBL23750218 0.78 PNMT (0.54) PNMTTAAR1TSHRRECQLHTR3E

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
US-20230012121-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2023-01-12 — — US disclosed
US-20210246169-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2021-08-12 — — US disclosed
WO-2020002325-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2020-01-02 — — WO 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-20230012121-A1 COMPOUNDS MRPS18A, MRPL37, MRPL21 PNMT 1771/4885TAAR1 2003/4885AOC3 3958/4885
US-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 PNMT 1862/4885TAAR1 1982/4885AOC3 3786/4885

“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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