SCHEMBL2108897

SCHEMBL2108897

CN(C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.66
CCR3 P51677 1/20 0.59
SIGMAR1 Q99720 3/20 0.59
OPRM1 P35372 3/20 0.57
DRD2 P14416 2/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
CHRM2 P08172 4/20 0.55
CHRM3 P20309 4/20 0.55
MC4R P32245 1/20 0.55
BCHE P06276 1/20 0.54
BACE1 P56817 1/20 0.54
KCNH2 Q12809 1/20 0.53

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
Hydrochloric Acid SCHEMBL2976109 0.98 ACHE (0.64) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL3965861 0.91 RECQL (0.59) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL1911332 0.90 LTA4H (0.60) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL13024536 0.90 LTA4H (0.60) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL13634431 0.90 LTA4H (0.60) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL28173289 0.88 ACHE (0.64) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL5570638 0.86 ACHE (0.62) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL19311894 0.86 ACHE (0.62) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL21375648 0.85 SIGMAR1 (0.60) ACHECCR3SIGMAR1OPRM1DRD2
SCHEMBL3311545 0.85 ACHE (0.60) ACHECCR3SIGMAR1OPRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
EP-2643332-B1 METHOD FOR BUFFERING A CHEMICAL OR BIOLOGICAL COMPOSITION SACHEM INC (US) 2014-10-22 EP disclosed
EP-2643332-A2 METHOD FOR BUFFERING A CHEMICAL OR BIOLOGICAL COMPOSITION Sachem, Inc. (US) 2013-10-02 EP disclosed
US-8361779-B2 Buffer compounds SACHEM, INC. (US) 2013-01-29 US disclosed
WO-2012071102-A2 BUFFER COMPOUNDS SACHEM, INC. (US) 2012-05-31 WO disclosed
US-20120129240-A1 BUFFER COMPOUNDS SACHEM, INC. 2012-05-24 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
WO-2011162515-A2 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY HANMI HOLDINGS CO. , LTD. (KR) 2011-12-29 WO disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-0823906-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-07-09 EP disclosed
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 US disclosed
US-5981520-A USEFUL FOR TREATING ASTHMA, BRONCHOSPASM, ALLERGIES, ANXIETY, COUGHING OR PAIN SCHERING CORPORATION (US) 1999-11-09 US disclosed
US-5795894-A TREATMENT OF ASTHMA AND BRONCHOSPASM SCHERING CORPORATION (US) 1998-08-18 US disclosed
EP-0823906-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
WO-1996034864-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 WO disclosed
EP-0309043-B1 Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides JANSSEN PHARMACEUTICA NV (BE) 1994-11-09 EP disclosed
US-3980788-A XANTHENYL COMPOUNDS SMITHKLINE CORPORATION (US) 1976-09-14 US 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A ACHE 314/4885CCR3 89/4885SIGMAR1 688/4885
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 ACHE 107/4885CCR3 358/4885SIGMAR1 188/4885

“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.