SCHEMBL10102637

SCHEMBL10102637

CN1CCN(CC(O)CCc2cc3cc(C(C)(C)C)ccc3nc2-c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
FPR2 P25090 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLK1 P53350 2/20 0.35
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 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
SCHEMBL13005203 0.83 AKT1 (0.36) ALDH1A1KDM4ECASP1CASP7RAB9A
SCHEMBL13005210 0.74 AKT1 (0.39) ALDH1A1KMT2AKDM4ECASP1CASP7
SCHEMBL10102640 0.72 HRH4 (0.41) HRH4SIGMAR1
SCHEMBL10102675 0.71 PSMB5 (0.43) LMNA
SCHEMBL10102678 0.70 AKT1 (0.37) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL10107981 0.69 KIF11 (0.38) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL10102677 0.68 VSIR (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13004928 0.68 DHODH (0.46) KDM4E
SCHEMBL10102676 0.66 DHODH (0.40) ALDH1A1GAAKDM4E
SCHEMBL10107731 0.65 DHODH (0.39)

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
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
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

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 ALDH1A1 3886/4885MAPT 538/4885GAA 2068/4885

“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.