SCHEMBL45015

SCHEMBL45015

CC1(C)CC(c2cc(F)cc(N3CCOCC3)c2)Nc2ccc(C(=O)OCC(N)=O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 2/20 0.36
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL45395 0.89 ALDH1A1 (0.41) MAPTMEN1HTTKMT2ARAB9A
SCHEMBL11025816 0.88 PRKAG1 (0.40) MAPTKMT2APRKAG1PRKAA1PRKAB1
SCHEMBL11029216 0.88 PRKAG1 (0.41) MAPTMEN1KMT2APRKAG1PRKAA1
SCHEMBL42376 0.86 PRKAG1 (0.42) MAPTMEN1KMT2APRKAG1PRKAA1
SCHEMBL45124 0.84 PRKAG1 (0.52) MAPTMEN1KMT2APRKAG1PRKAA1
SCHEMBL45014 0.82 HTR1A (0.39) MAPTMEN1KMT2APRKAG1PRKAA1
SCHEMBL11027687 0.81 PRKAG1 (0.38) MAPTPRKAG1PRKAA1PRKAB1TDP1
SCHEMBL45267 0.79 PRKAG1 (0.46) MAPTMEN1KMT2APRKAG1PRKAA1
SCHEMBL11940877 0.79 SCN9A (0.39) MAPTPRKAG1PRKAA1PRKAB1NTRK1
SCHEMBL47271 0.79 PRKAG1 (0.42) MAPTMEN1KMT2APRKAG1PRKAA1

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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 MAPT 3006/4885MEN1 1106/4885HTT 2447/4885

“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.