SCHEMBL1132364

SCHEMBL1132364

COc1ccccc1C(C)(C)N(C)CCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
AOC3 Q16853 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KDM4E B2RXH2 1/20 0.37
IDO1 P14902 2/20 0.37

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
SCHEMBL15473833 0.86 AOC3 (0.40) AOC3CA12CA1CA2CA4
SCHEMBL12565788 0.86 CA1 (0.40) AOC3CA12CA1CA2CA4
SCHEMBL15473823 0.86 HTR7 (0.46) AOC3CA12CA1CA2CA4
SCHEMBL15471036 0.85 AOC3 (0.39) AOC3CA12CA1CA2CA4
SCHEMBL15473816 0.83 CYP1A2 (0.43) AOC3CA12CA1CA2CA4
SCHEMBL1132461 0.82 TAAR1 (0.41) TAAR1AOC3CA12CA1CA2
SCHEMBL12608093 0.82 CHRM2 (0.39) AOC3CA12CA1CA2CA4
SCHEMBL1133276 0.82 ALDH1A1 (0.40) AOC3CA12CA1CA2CA4
SCHEMBL12566254 0.81 HTR7 (0.39) AOC3CA12CA1CA2CA4
SCHEMBL12566106 0.81 GAA (0.42) AOC3CA12CA1CA2CA4

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-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP 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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 TAAR1 3583/4885AOC3 1340/4885CA12 4572/4885

“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.