SCHEMBL5437001

SCHEMBL5437001

CC(C)(C)OC(=O)N1CCc2cc(N)c(Br)cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
ESR2 Q92731 1/20 0.53
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.38
DPP4 P27487 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
SCHEMBL29557668 0.93 NR1H2 (0.65) NR1H2ESR2NPC1RAB9ALMNA
SCHEMBL719713 0.90 NR1H2 (0.62) NR1H2ESR2NPC1RAB9ALMNA
SCHEMBL5443139 0.87 NR1H2 (0.56) NR1H2ESR2NPC1RAB9ALMNA
SCHEMBL31447592 0.86 NR1H2 (0.54) NR1H2ESR2LMNAUSP2SMN1; SMN2
SCHEMBL2307613 0.84 ESR2 (0.58) NR1H2ESR2NPC1RAB9AUSP2
SCHEMBL3897363 0.83 NR1H2 (0.55) NR1H2ESR2NPC1RAB9ALMNA
SCHEMBL5436944 0.83 ESR2 (0.56) NR1H2ESR2NPC1RAB9AUSP2
SCHEMBL5445035 0.82 NR1H2 (0.54) NR1H2ESR2NPC1RAB9AUSP2
SCHEMBL519943 0.82 NR1H2 (0.54) NR1H2ESR2NPC1RAB9AUSP2
SCHEMBL12105495 0.82 KDM4E (0.44) LMNAUSP2KDM4EMAPTMEN1

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
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN 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-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 368/4885NPC1 767/4885
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents SIGMAR1, CNR1, CBR1 NR1H2 714/4885ESR2 821/4885NPC1 1057/4885

“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.