SCHEMBL45014

SCHEMBL45014

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
NTRK1 P04629 2/20 0.39
NTRK3 Q16288 2/20 0.39
NTRK2 Q16620 2/20 0.39
NAMPT P43490 2/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
PIK3CB P42338 2/20 0.37
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
GAA P10253 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PRKD1 Q15139 1/20 0.35
CHEK1 O14757 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL45394 0.89 PRKD1 (0.40) HTR1ANTRK1NTRK3NTRK2MEN1
SCHEMBL15751698 0.87 ACHE (0.40)
SCHEMBL42376 0.86 PRKAG1 (0.42) NTRK1NTRK3NTRK2NAMPTMEN1
SCHEMBL11027687 0.86 PRKAG1 (0.38) NTRK1NTRK3NTRK2NAMPTPRKAG1
SCHEMBL11025816 0.86 PRKAG1 (0.40) NTRK1NTRK3NTRK2KMT2APRKAG1
SCHEMBL11029216 0.86 PRKAG1 (0.41) NTRK1NTRK3NTRK2NAMPTMEN1
SCHEMBL45124 0.85 PRKAG1 (0.52) MEN1KMT2APRKAG1PRKAA1PRKAB1
SCHEMBL11940877 0.85 SCN9A (0.39) NTRK1NTRK3NTRK2NAMPTPRKAG1
SCHEMBL45313 0.82 PRKD1 (0.40) HTR1ANTRK1NTRK3NTRK2NAMPT
SCHEMBL45015 0.82 MAPT (0.40) NTRK1NTRK3NTRK2MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO 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 HTR1A 1097/4885NTRK1 4082/4885NTRK3 3822/4885

“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.