SCHEMBL3323926

SCHEMBL3323926

CN1CCc2cc(N(C)C)c(S(=O)(=O)c3ccc(Cc4cc(F)cc(C(F)(F)F)c4)cc3)cc2CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.37
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MOGAT2 Q3SYC2 2/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
GALR3 O60755 1/20 0.32
CCR2 P41597 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5457597 0.91 USP2 (0.40) HTR2AHTR2CUSP2SMN1; SMN2MOGAT2
SCHEMBL5451428 0.88 GALR3 (0.42) GPR52HTR2AHTR2CUSP2SMN1; SMN2
SCHEMBL13362015 0.87 USP2 (0.37) HTR2AHTR2CUSP2SMN1; SMN2MOGAT2
SCHEMBL5445721 0.87 USP2 (0.41) HTR2AHTR2CUSP2SMN1; SMN2MOGAT2
SCHEMBL5458495 0.87 USP2 (0.36) HTR2AHTR2CUSP2SMN1; SMN2CYP1A2
SCHEMBL5466786 0.84 SIGMAR1 (0.42) HTR2AHTR2CUSP2SMN1; SMN2CCR2
SCHEMBL5459252 0.84 HTR2A (0.37) GPR52HTR2AHTR2CUSP2SMN1; SMN2
SCHEMBL5467092 0.84 HTR2A (0.37) HTR2AHTR2CMOGAT2CYP1A2CYP3A4
SCHEMBL5462496 0.84 KCNH2 (0.38) HTR2AHTR2CUSP2SMN1; SMN2MOGAT2
SCHEMBL5453931 0.84 USP2 (0.36) HTR2AHTR2CUSP2SMN1; SMN2MOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP claimed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO claimed
US-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents GLAXO GROUP LIMITED (GB) 2007-09-27 US claimed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
US-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
US-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
US-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1687005-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
WO-2005051398-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-06-09 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-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents HTR4, DRD4, SLC6A3 GPR52 488/4885HTR2A 448/4885HTR2C 64/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE GPR52 674/4885HTR2A 16/4885HTR2C 21/4885

“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.