SCHEMBL21610469

SCHEMBL21610469

CC(C)C[C@@H](CN)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 6/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.52
▸ MAOA P21397 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ CYP2D6 P10635 1/20 0.48
▸ EPHX1 P07099 1/20 0.45
▸ ANPEP P15144 1/20 0.44
▸ RNPEP Q9H4A4 1/20 0.44
▸ DNPEP Q9ULA0 1/20 0.44
▸ SLC18A2 Q05940 1/20 0.44
▸ CACNA2D1 P54289 2/20 0.42
▸ CACNB3 P54284 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADRA1A P35348 1/20 0.42

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
SCHEMBL21610477 1.00 TAAR1 (0.52) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL21610472 1.00 TAAR1 (0.52) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL6563096 0.83 EPHX1 (0.56) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL516032 0.83 EPHX1 (0.56) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL28916127 0.80 TRPA1 (0.57) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL28915633 0.80 TRPA1 (0.57) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL4588322 0.79 TAAR1 (0.50) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL2604897 0.79 TAAR1 (0.50) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL21610466 0.79 PNMT (0.62) TAAR1
SCHEMBL21610464 0.79 PNMT (0.62) TAAR1

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-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 (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-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 TAAR1 1982/4885SLC6A2 4635/4885SIGMAR1 142/4885

“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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