SCHEMBL10101283

SCHEMBL10101283

COC(=O)N[C@@H](Cc1cn(C)cn1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.48
FPR2 P25090 1/20 0.45
TRHR P34981 1/20 0.41
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTOR P42345 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CPB2 Q96IY4 7/20 0.39
CPB1 P15086 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL14853085 0.90 SCN9A (0.42) SCN9AFPR2TRHRCYP2C9TSHR
SCHEMBL10102531 0.88 SCN9A (0.46) SCN9AFPR2TRHRCYP2C9TSHR
SCHEMBL689785 0.88 CPB2 (0.45) SCN9ATRHRCPB2CPB1
SCHEMBL689786 0.88 CPB2 (0.45) SCN9ATRHRCPB2CPB1
SCHEMBL12980124 0.85 SCN9A (0.41) SCN9AFPR2TRHRCYP2C9TSHR
SCHEMBL14886285 0.85 SCN9A (0.41) SCN9AFPR2TRHRCYP2C9TSHR
SCHEMBL10122826 0.85 SCN9A (0.43) SCN9AFPR2TRHRCYP2C9TSHR
SCHEMBL888805 0.85 SCN9A (0.43) SCN9AFPR2TRHRCYP2C9TSHR
SCHEMBL22361422 0.84 SCN9A (0.44) SCN9AFPR2TRHRCYP2C9TSHR
SCHEMBL19364688 0.83 SCN9A (0.40) SCN9AFPR2TRHRCPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP 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-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
US-7893082-B2 Antitumor agents; anticancer agents MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
US-7868172-B2 2-(hetero)-aryl substituted tetrahydroquinoline derivatives MERCK PATENT GMBH (DE) 2011-01-11 US disclosed
US-20090030028-A1 Tetrahydroquinolines MERCK PATENT GMBH (DE) 2009-01-29 US disclosed
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080194615-A1 Antitumor agents; anticancer agents MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20070203167-A1 2-(Hetero)-aryl substituted tetrahydrochinoline MERCK PATENT GMBH (DE) 2007-08-30 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 (4 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-20090030028-A1 Tetrahydroquinolines RECQL, QTRT1, NRAS SCN9A 3976/4885FPR2 1732/4885TRHR 142/4885
US-20070203167-A1 2-(Hetero)-aryl substituted tetrahydrochinoline NCOR1, CCNT2, NCOR2 SCN9A 4100/4885FPR2 1254/4885TRHR 58/4885
US-20080194615-A1 Antitumor agents; anticancer agents RB1, TP53, CCNT1 SCN9A 4510/4885FPR2 4364/4885TRHR 235/4885
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle CCNE1, CCNA1, CCNT1 SCN9A 4014/4885FPR2 2968/4885TRHR 1789/4885

“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.