SCHEMBL334953

SCHEMBL334953

CCN(CCCN)[C@@H](C)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CHRM2 P08172 2/20 0.37
MC4R P32245 1/20 0.36
BCHE P06276 2/20 0.36
AOC3 Q16853 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL335464 0.96 ACHE (0.41) ALDH1A1TAAR1ACHECA1CA2
SCHEMBL1132754 0.91 TAAR1 (0.41) ALDH1A1TAAR1ACHECA1CA2
SCHEMBL334999 0.91 TAAR1 (0.41) ALDH1A1TAAR1ACHECA1CA2
SCHEMBL11886646 0.84 CA1 (0.44) ALDH1A1ACHECA1CA2MC4R
SCHEMBL10245022 0.84 CA1 (0.44) ALDH1A1ACHECA1CA2MC4R
SCHEMBL10244526 0.83 SLC6A4 (0.40) ALDH1A1ACHECA1CA2CHRM2
SCHEMBL334589 0.82 MC4R (0.38) ALDH1A1ACHECA1CA2MC4R
SCHEMBL12608137 0.82 ALDH1A1 (0.48) ALDH1A1ACHECA1CA2CHRM2
SCHEMBL334590 0.82 MC4R (0.38) ALDH1A1ACHECA1CA2MC4R
SCHEMBL10245606 0.82 CHRM2 (0.43) ALDH1A1ACHECHRM2BCHECYP1A2

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 6 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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 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
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 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 (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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 ALDH1A1 3050/4885TAAR1 3583/4885ACHE 1195/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ALDH1A1 1939/4885TAAR1 4408/4885ACHE 1324/4885

“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.