SCHEMBL4613302

SCHEMBL4613302

Cc1cccc(C(=O)Nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR2A P28223 1/20 0.48
DRD3 P35462 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BACE1 P56817 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL4616162 0.90 SMN1; SMN2 (0.49) TSHRHSD17B10MAPTALDH1A1KDM4E
SCHEMBL4613491 0.90 CYP1A2 (0.56) TSHRHSD17B10LMNAALDH1A1CYP1A2
SCHEMBL4616335 0.90 TSHR (0.53) TSHRHSD17B10LMNAMAPTALDH1A1
SCHEMBL4615332 0.87 GPR119 (0.45) TSHRHSD17B10LMNAMAPTALDH1A1
SCHEMBL4614715 0.86 NPSR1 (0.53) TSHRMAPTALDH1A1KDM4ECYP1A2
SCHEMBL4613353 0.86 NPSR1 (0.49) TSHRHSD17B10LMNAMAPTALDH1A1
SCHEMBL4615052 0.84 BACE1 (0.52) LMNAMAPTALDH1A1KDM4EKMT2A
SCHEMBL4613933 0.81 LMNA (0.52) TSHRLMNAMAPTALDH1A1KMT2A
SCHEMBL4615741 0.81 NPSR1 (0.53) TSHRHSD17B10LMNAALDH1A1CYP2D6
SCHEMBL4616097 0.80 BACE1 (0.49) TSHRLMNAMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1708713-B1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM HOFFMANN LA ROCHE (CH) 2008-03-12 EP disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
EP-1708713-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. Hoffman-la Roche AG (CH) 2006-10-11 EP disclosed
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 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 (2 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-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 TSHR 2627/4885HSD17B10 1776/4885LMNA 425/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 TSHR 2627/4885HSD17B10 1776/4885LMNA 425/4885

“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.