SCHEMBL7122869

SCHEMBL7122869

CCCN(CCC)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.59
TDP1 Q9NUW8 5/20 0.59
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
MAPK1 P28482 2/20 0.59
PSMD14 O00487 1/20 0.59
TSHR P16473 1/20 0.59
RECQL P46063 1/20 0.59
GFER P55789 1/20 0.59
TP53 P04637 3/20 0.46
ALOX15 P16050 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL33801 0.94 TDP1 (0.67) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL10300283 0.89 HRH3 (0.48) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL7155728 0.89 HRH3 (0.48) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL27461663 0.88 CYP3A4 (0.55) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL6822008 0.88 ALDH1A1 (0.79) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL2790604 0.86 ALDH1A1 (0.53) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL13949611 0.86 CYP3A4 (0.57) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL7520164 0.85 ALDH1A1 (0.75) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL7121739 0.85 ALDH1A1 (0.52) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL19415813 0.84 TDP1 (0.55) CYP3A4TDP1ALDH1A1L3MBTL1MAPK1

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-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 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-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD CYP3A4 1516/4885TDP1 4823/4885ALDH1A1 583/4885

“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.