SCHEMBL3101567

SCHEMBL3101567

O=C(C=Cc1ccc(O)cc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HPGD P15428 4/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C9 P11712 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44

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
SCHEMBL3101555 1.00 MAPT (0.46) MAPTHPGDHTTLMNANPC1
SCHEMBL13096376 0.90 MAPT (0.59) MAPTHPGDHTTLMNANPC1
SCHEMBL3101865 0.90 MEN1 (0.52) MAPTHPGDHTTLMNANPC1
SCHEMBL3101854 0.90 MEN1 (0.52) MAPTHPGDHTTLMNANPC1
SCHEMBL3100471 0.81 PTGDR2 (0.48) MAPTHPGDHTTLMNANPC1
SCHEMBL3100463 0.81 PTGDR2 (0.48) MAPTHPGDHTTLMNANPC1
SCHEMBL31018186 0.80 TRPV1 (0.39) MAPTHPGDHTTLMNANPC1
SCHEMBL3099388 0.80 TRPV1 (0.39) MAPTHPGDHTTLMNANPC1
SCHEMBL3099369 0.80 TRPV1 (0.39) MAPTHPGDHTTLMNANPC1
SCHEMBL3259529 0.80 MAPT (0.46) MAPTHPGDHTTLMNANPC1

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-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
EP-2181095-B1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2012-08-22 EP disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 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-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES PTGIS, ADRB2, ADRB1 MAPT 2764/4885HPGD 43/4885HTT 4454/4885

“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.