SCHEMBL10102640

SCHEMBL10102640

CN1CCN(CCCc2cc3cc(C(C)(C)C)ccc3nc2-c2ccsc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.41
KDR P35968 3/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
KIT P10721 1/20 0.38
TEK Q02763 1/20 0.38
GRM1 Q13255 1/20 0.38
DRD2 P14416 2/20 0.37
HTR6 P50406 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
HTR7 P34969 2/20 0.36
SIGMAR1 Q99720 3/20 0.36
HTR1A P08908 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL10102638 0.83 GPBAR1 (0.42) GRM1GPBAR1KCNH2
SCHEMBL10102644 0.72 GPBAR1 (0.42) GRM1GPBAR1KCNH2
SCHEMBL10102637 0.72 ALDH1A1 (0.37) HRH4SIGMAR1
SCHEMBL13005210 0.67 AKT1 (0.39)
SCHEMBL10102675 0.66 PSMB5 (0.43) KCNH2
SCHEMBL10102678 0.66 AKT1 (0.37) GPBAR1SIGMAR1HTR1AKCNH2
SCHEMBL13005241 0.65 GPBAR1 (0.40) GRM1GPBAR1
SCHEMBL10102661 0.65 GPBAR1 (0.41) GRM1GPBAR1KCNH2
SCHEMBL10102633 0.64 RPS6KB2 (0.40) GPBAR1
SCHEMBL3386183 0.64 PIK3CG (0.40) HTR7

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 HRH4 2295/4885KDR 4435/4885FLT1 4465/4885

“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.