SCHEMBL1901800

SCHEMBL1901800

CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
ADORA1 P30542 1/20 0.48
CHRM2 P08172 5/20 0.47
CHRM4 P08173 5/20 0.47
CHRM5 P08912 5/20 0.47
CHRM1 P11229 5/20 0.47
CHRM3 P20309 5/20 0.47
CASP3 P42574 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
RAB9A P51151 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL1094742 0.92 MEN1 (0.48) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL2794854 0.89 CHRM2 (0.46) MEN1KMT2AMAPTCHRM2CHRM4
SCHEMBL17074443 0.84 CYP3A4 (0.44) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL17074434 0.84 CYP3A4 (0.44) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL4399041 0.83 TMEM97 (0.45) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL1105716 0.81 ACHE (0.41) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL19893177 0.80 ADORA1 (0.41) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL4598439 0.80 CASP3 (0.41) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL3986667 0.79 ACHE (0.38) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL7103546 0.79 TMEM97 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367821-B1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2015-09-16 EP claimed
US-20110312951-A1 C-Ring Modified Tricyclic Benzonaphthiridinone Protein Kinase Inhibitors and Use Thereof MERCK PATENT GMBH (DE) 2011-12-22 US claimed
EP-2367821-A1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2011-09-28 EP claimed
WO-2010077530-A1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-07-08 WO claimed
US-9938268-B2 C-ring modified tricyclic benzonaphthiridinone protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-9938268-B2 C-ring modified tricyclic benzonaphthiridinone protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-9938268-B2 C-ring modified tricyclic benzonaphthiridinone protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
EP-3174864-A2 VMAT INHIBITORY COMPOUNDS Oregon Health & Science University (US) 2017-06-07 EP disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators BENNANI YOUSSEF L 2009-03-12 US disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed
US-7423056-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2008-09-09 US disclosed
US-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. 2006-04-13 US disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 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 (5 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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 MEN1 3426/4885KMT2A 997/4885LMNA 3846/4885
US-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A MEN1 4262/4885KMT2A 1552/4885LMNA 4339/4885
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A MEN1 4262/4885KMT2A 1552/4885LMNA 4339/4885
US-20110312951-A1 C-Ring Modified Tricyclic Benzonaphthiridinone Protein Kinase Inhibitors and Use Thereof PRKCB, PNCK, PACSIN2 MEN1 4138/4885KMT2A 3378/4885LMNA 867/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 MEN1 2862/4885KMT2A 3384/4885LMNA 2804/4885

“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.