SCHEMBL17696563

SCHEMBL17696563

CNc1ccc(CCF)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.40
TAAR1 Q96RJ0 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
KIF11 P52732 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
SCHEMBL7018335 0.81 TAAR1 (0.56) TAAR1
SCHEMBL12947588 0.80 TSHR (0.43) APPTSHRKIF11
SCHEMBL28326928 0.80 TSHR (0.43) APPTAAR1TSHR
SCHEMBL5149729 0.79 TAAR1 (0.48) TAAR1TSHR
SCHEMBL12452414 0.78 PLK1 (0.50) APPTSHR
SCHEMBL26267723 0.77 MAPT (0.67) TAAR1MAPT
SCHEMBL26268908 0.77 TAAR1 (0.62) TAAR1MAPT
SCHEMBL26268878 0.77 MAPT (0.49) TAAR1MAPT
SCHEMBL291602 0.76 ALDH1A1 (0.52) APPTSHRMAPTKIF11
SCHEMBL5689956 0.76 CA2 (0.52) APPTSHRMAPT

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-9447046-B2 Histone demethylase inhibitors Celegene Quanticel Research, Inc. (US) 2016-09-20 US disclosed
US-20160107995-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 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-20160107995-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6A, KDM1A APP 4761/4885TAAR1 4273/4885TSHR 4224/4885

“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.