SCHEMBL4767323

SCHEMBL4767323

C#CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.61
CCR3 P51677 1/20 0.59
SIGMAR1 Q99720 2/20 0.59
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
BACE1 P56817 2/20 0.54
BCHE P06276 1/20 0.54
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CXCR4 P61073 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL311417 0.82 ACHE (0.61) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL1593175 0.82 ACHE (0.61) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL2010139 0.81 ACHE (0.69) ACHECCR3SIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL312187 0.81 ACHE (0.59) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL8315434 0.79 ACHE (0.71) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL4257757 0.77 ACHE (0.69) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL7363662 0.77 ACHE (0.69) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL5016797 0.77 ACHE (0.54) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL3273178 0.76 ACHE (0.53) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL607250 0.76 ACHE (0.53) ACHECCR3SIGMAR1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4069367-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2024-05-15 EP claimed
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP claimed
CN-110627827-B Synthesis method of 4-ethynyl-tetrahydropyrane or 4-ethynyl piperidine 杭州澳赛诺生物科技有限公司 2022-11-08 CN disclosed
CN-110627827-A Synthesis method of 4-ethynyl-tetrahydropyrane or 4-ethynyl piperidine 杭州澳赛诺生物科技有限公司 2019-12-31 CN disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
CN-1395575-A Novel piperidine compounds and drugs containing the same EISAI CO LTD (JP) 2003-02-05 CN disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ACHE 35/4885CCR3 3875/4885SIGMAR1 4289/4885
US-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 ACHE 1318/4885CCR3 1473/4885SIGMAR1 275/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ACHE 94/4885CCR3 2664/4885SIGMAR1 2330/4885

“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.