SCHEMBL3386183

SCHEMBL3386183

CC(C)(C)c1ccc2nc(-c3cccc(O)c3)c(CCCO)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.40
OPRD1 P41143 5/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPY1R P25929 1/20 0.33
HTT P42858 1/20 0.33
NPY2R P49146 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HSD17B2 P37059 1/20 0.33
GCGR P47871 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL13005210 0.88 AKT1 (0.39) ALDH1A1HPGDRAB9ASCN10A
SCHEMBL10102655 0.88 PDE4B (0.37) MAPTSMN1; SMN2
SCHEMBL10102645 0.85 CNR2 (0.38) ALDH1A1HPGDSMN1; SMN2
SCHEMBL10102650 0.83 LMNA (0.40) ALDH1A1LMNAMAPTHPGD
SCHEMBL10102638 0.80 GPBAR1 (0.42) SCN10A
SCHEMBL10102653 0.79 CTSK (0.40) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3386188 0.78 PIK3CG (0.36) PIK3CGHSD17B2GCGR
SCHEMBL10102633 0.77 RPS6KB2 (0.40) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3383001 0.76 DHODH (0.45)
SCHEMBL10107980 0.76 SCN10A (0.35) NPC1SMN1; SMN2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
EP-1891011-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 Merck Patent GmbH (DE) 2008-02-27 EP disclosed
WO-2006133821-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2006-12-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B PIK3CG 2253/4885OPRD1 3813/4885OPRM1 3531/4885

“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.