SCHEMBL544199

SCHEMBL544199

COc1cccc(C[N+](C)(C)CC(C)O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.51
CHRM2 P08172 4/20 0.50
CHRM1 P11229 4/20 0.50
CHRM3 P20309 4/20 0.50
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
ADRB2 P07550 2/20 0.42
CMA1 P23946 1/20 0.42
CYP1A2 P05177 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL545138 0.87 MAPK1 (0.40) TAAR1CHRM2CHRM1CHRM3
SCHEMBL544056 0.83 CYP4F2 (0.51)
2-Ethylhexanoic Acid SCHEMBL6235255 0.81 CTSK (0.42) CHRM2CHRM1CHRM3
Emilium SCHEMBL29388187 0.79 CHRM2 (0.53) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL26858767 0.79 TAAR1 (0.59) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL9248085 0.78 TSHR (0.53) TAAR1CHRM2CHRM1CHRM3IDO1
Hydrochloric Acid SCHEMBL11518426 0.78 ELANE (0.36)
SCHEMBL9071087 0.77 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL29365903 0.77 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL2427142 0.77 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3IDO1

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-8110707-B2 Surfactant AISIN AW CO., LTD. (JP) 2012-02-07 US disclosed
US-20100191014-A1 SURFACTANT AISIN AW CO., LTD (JP) 2010-07-29 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-20100191014-A1 SURFACTANT SLC27A1, LIPA, ABHD16A TAAR1 1228/4885CHRM2 896/4885CHRM1 987/4885

“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.