SCHEMBL45171

SCHEMBL45171

CC(C)N1CCN(c2cccc(C3CC(C)(C)c4cc(C(=O)NCCN5CCS(O)(O)CC5)ccc4N3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
DRD4 P21917 4/20 0.41
HTR1A P08908 3/20 0.41
VCP P55072 5/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL45170 0.94 HSD17B10 (0.41) HSD17B10DRD4HTR1AVCPMAPT
SCHEMBL45444 0.90 HSD17B10 (0.42) HSD17B10DRD4HTR1AMAPTPOLB
SCHEMBL45445 0.84 HSD17B10 (0.42) HSD17B10DRD4HTR1AMAPTPOLB
SCHEMBL42389 0.83 HDAC4 (0.36) HSD17B10DRD4HTR1AVCPMAPT
SCHEMBL41668 0.81 HDAC4 (0.46) HSD17B10KDM4EALDH1A1
SCHEMBL45313 0.77 PRKD1 (0.40) HSD17B10HTR1AMAPTLMNAKDM4E
SCHEMBL45394 0.77 PRKD1 (0.40) HSD17B10HTR1AMAPT
SCHEMBL15752123 0.76 BCL3 (0.38) POLBALDH1A1HTT
SCHEMBL11025237 0.75 F11 (0.44) HSD17B10KDM4EALDH1A1
SCHEMBL11029499 0.75 F10 (0.45) MAPTLMNAKDM4EALDH1A1

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 375/4885DRD4 3388/4885HTR1A 1097/4885

“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.