SCHEMBL45444

SCHEMBL45444

CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2ccc(C(=O)NCCN3CCS(O)(O)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 2/20 0.42
POLB P06746 2/20 0.41
DRD4 P21917 4/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.39
DRD2 P14416 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
SCHEMBL45445 0.94 HSD17B10 (0.42) HSD17B10HTR1APOLBDRD4CYP2C19
SCHEMBL45171 0.90 HSD17B10 (0.41) HSD17B10HTR1APOLBDRD4MAPT
SCHEMBL45313 0.88 PRKD1 (0.40) HSD17B10HTR1ACYP2C19MAPTMEN1
SCHEMBL45394 0.88 PRKD1 (0.40) HSD17B10HTR1ACYP2C19MAPTMEN1
SCHEMBL15752123 0.86 BCL3 (0.38) POLBCYP2C19CYP2C9MEN1KMT2A
SCHEMBL45170 0.84 HSD17B10 (0.41) HSD17B10HTR1APOLBDRD4MAPT
SCHEMBL11026483 0.83 F10 (0.45) CYP2C19MAPTMEN1KMT2A
SCHEMBL41795 0.83 MEN1 (0.35) HSD17B10HTR1APOLBDRD4CYP2C19
SCHEMBL45257 0.82 PRMT5 (0.44) CYP2C19MAPTMEN1RAB9AKMT2A
SCHEMBL45312 0.81 F10 (0.47) CYP2C19CYP2C9MAPTCYP1A2

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 6 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 claimed
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-8592594-B2 Tetrahydro-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-26 US disclosed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP 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 HSD17B10 375/4885HTR1A 1097/4885POLB 3803/4885

“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.