SCHEMBL20801762

SCHEMBL20801762

CC(C)c1ccc2c(ccn2CCN(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.58
HTR2A P28223 3/20 0.58
HTR1D P28221 8/20 0.51
HTR6 P50406 3/20 0.49
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
BPTF Q12830 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL20614497 0.88 HTR1D (0.62) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL23612448 0.81 ACACB (0.46) HTR2CHTR2AHTR7
SCHEMBL16939364 0.80 HTR2C (0.63) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL15701642 0.79 CYP19A1 (0.52) HTR2CHTR2AHTR6HTR7
SCHEMBL20540198 0.78 HTR2C (0.61) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL14016155 0.78 HTR2C (0.61) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL30411128 0.78 HTR2C (0.61) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL23956081 0.78 HTR2A (0.69) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL6597437 0.78 HTR2C (0.61) HTR2CHTR2AHTR1DHTR6NOS3
SCHEMBL216229 0.78 HTR2C (0.61) HTR2CHTR2AHTR1DHTR6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 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-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR2C 1579/4885HTR2A 3266/4885HTR1D 606/4885

“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.