SCHEMBL266426

SCHEMBL266426

Cc1cc(-c2ccccc2)n(CCCN2CCOCC2)c1C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 14/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ABCB1 P08183 1/20 0.47

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
SCHEMBL15441367 0.87 TRPV4 (0.62) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL14017376 0.86 TRPV4 (0.55) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL1066093 0.84 TRPV4 (0.77) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL6455655 0.82 TRPV4 (0.74) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL23211075 0.81 TRPV4 (0.55) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL15375812 0.80 TRPV4 (0.70) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL15441180 0.79 TRPV4 (1.00) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL15441639 0.79 ALDH1A1 (1.00) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL15441703 0.77 TRPV4 (0.68) TRPV4ALDH1A1MAPTKMT2AMAPK1
SCHEMBL15441297 0.77 MAPK1 (1.00) TRPV4ALDH1A1MAPTKMT2AMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 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 (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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 TRPV4 545/4885ALDH1A1 1934/4885MAPT 4880/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 TRPV4 509/4885ALDH1A1 2376/4885MAPT 4873/4885

“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.