SCHEMBL335079

SCHEMBL335079

CCc1ccc(C(C)N(CC)CCN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.34
KIF11 P52732 2/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BCHE P06276 1/20 0.31
LMNA P02545 1/20 0.31
CYP17A1 P05093 1/20 0.31
HPGD P15428 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL335352 0.84 ALOX5 (0.42) TAAR1TSHRALOX5
SCHEMBL334729 0.83 ROCK1 (0.39) TAAR1HPGD
SCHEMBL335097 0.83 ADRB2 (0.42) TAAR1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL334958 0.83 ALOX5 (0.44) TAAR1ALOX5ALDH1A1LMNA
SCHEMBL335260 0.82 HRH1 (0.45) TAAR1TSHRALOX5
SCHEMBL334241 0.80 ALOX5 (0.43) TAAR1ALOX5ALDH1A1
SCHEMBL334298 0.79 SMN1; SMN2 (0.34) TSHRSMN1; SMN2LMNA
SCHEMBL335096 0.79 PDE2A (0.41) TAAR1LMNA
SCHEMBL334377 0.79 NQO1 (0.44) TSHRTDP1CA2SMN1; SMN2ALDH1A1
SCHEMBL23652625 0.76 TDP1 (0.45) TAAR1TSHRMAPK1TDP1ALDH1A1

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US 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 (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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 TAAR1 4408/4885TSHR 1567/4885MAPK1 2104/4885

“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.