SCHEMBL5445035

SCHEMBL5445035

CCc1cc2c(cc1N)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
ESR2 Q92731 1/20 0.52
DPP4 P27487 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA1 P30542 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
GPR119 Q8TDV5 8/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KDM1A O60341 1/20 0.38

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
SCHEMBL26629209 0.94 NR1H2 (0.64) NR1H2ESR2DPP4NPC1RAB9A
SCHEMBL719713 0.89 NR1H2 (0.62) NR1H2ESR2NPC1RAB9AADORA1
SCHEMBL20939554 0.88 ESR2 (0.49) NR1H2ESR2DPP4NPC1RAB9A
SCHEMBL20939550 0.85 NR1H2 (0.48) NR1H2ESR2DPP4NPC1RAB9A
SCHEMBL20939662 0.84 ESR2 (0.48) NR1H2ESR2DPP4NPC1RAB9A
SCHEMBL5443139 0.83 NR1H2 (0.56) NR1H2ESR2NPC1RAB9AADORA1
SCHEMBL2307613 0.83 ESR2 (0.58) NR1H2ESR2DPP4NPC1RAB9A
SCHEMBL6365902 0.83 NR1H2 (0.51) NR1H2ESR2DPP4NPC1RAB9A
SCHEMBL5437001 0.82 NR1H2 (0.55) NR1H2ESR2DPP4NPC1RAB9A
SCHEMBL3897363 0.82 NR1H2 (0.55) NR1H2ESR2DPP4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
EP-1503989-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-09 EP disclosed
EP-1474399-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
WO-2003095428-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-11-20 WO disclosed
WO-2003068752-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (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-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 NR1H2 370/4885ESR2 368/4885DPP4 3833/4885
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents SIGMAR1, CNR1, CBR1 NR1H2 714/4885ESR2 821/4885DPP4 4022/4885

“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.