SCHEMBL3833595

SCHEMBL3833595

CC1=C(N2CCNCC2)NC=CC=C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.39
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3A P46098 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NCF1 P14598 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2066449 0.73 ADRB1 (0.38) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1420015 0.64 ADRB1 (0.36) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27262548 0.62 HTR3A (0.35) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1248486 0.62 ADRB1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28793521 0.62
SCHEMBL28812166 0.62 MAPT (0.31) ALDH1A1
SCHEMBL4421139 0.62 ADRB2 (0.36) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4421143 0.62 ADRB2 (0.40) ADRB1HTR3EHTR3BHTR3AHTR3D
Iodide SCHEMBL28159118 0.60
Water SCHEMBL28159507 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607129-B1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH SA (BE) 1995-08-23 EP claimed
US-5393752-A Psycholigical disorders THERABEL RESEARCH S.A./N.V. (BE) 1995-02-28 US claimed
EP-0607129-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE. THERABEL RESEARCH SA (BE) 1994-07-27 EP claimed
WO-1993007143-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH S.A./N.V. (BE) 1993-04-15 WO claimed
EP-1593676-B1 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor CAMH (CA) 2009-10-07 EP disclosed
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US disclosed
EP-1696931-B1 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARM INC (US) 2009-03-25 EP disclosed
EP-1406881-B1 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR NEUROMOLECULAR INC (CA) 2006-09-13 EP disclosed
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2006-07-27 US disclosed
EP-1593676-A1 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor Neuromolecular, Inc. (CA) 2005-11-09 EP disclosed
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2005-10-06 US disclosed
US-6890919-B2 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ (CA) 2005-05-10 US disclosed
US-5393752-A Psycholigical disorders THERABEL RESEARCH S.A./N.V. (BE) 1995-02-28 US disclosed
US-5393752-A Psycholigical disorders THERABEL RESEARCH S.A./N.V. (BE) 1995-02-28 US disclosed
US-5393752-A Psycholigical disorders THERABEL RESEARCH S.A./N.V. (BE) 1995-02-28 US disclosed
EP-0607129-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE. THERABEL RESEARCH SA (BE) 1994-07-27 EP disclosed
EP-0607129-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE. THERABEL RESEARCH SA (BE) 1994-07-27 EP disclosed
EP-0607129-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE. THERABEL RESEARCH SA (BE) 1994-07-27 EP disclosed
WO-1993007143-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH S.A./N.V. (BE) 1993-04-15 WO disclosed
WO-1993007143-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH S.A./N.V. (BE) 1993-04-15 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 (3 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-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A ADRB1 112/4885HTR3E 155/4885HTR3B 19/4885
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A ADRB1 112/4885HTR3E 155/4885HTR3B 19/4885
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A ADRB1 112/4885HTR3E 155/4885HTR3B 19/4885

“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.