SCHEMBL2007231

SCHEMBL2007231

BrC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.67
SIGMAR1 Q99720 3/20 0.65
CCR3 P51677 1/20 0.65
DRD4 P21917 3/20 0.61
DRD2 P14416 2/20 0.61
DRD3 P35462 2/20 0.61
BACE1 P56817 2/20 0.59
BCHE P06276 1/20 0.59
ALDH1A1 P00352 1/20 0.56
CXCR4 P61073 1/20 0.56
HTR2A P28223 1/20 0.56
MC4R P32245 1/20 0.55

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
SCHEMBL15902860 0.98 ACHE (0.65) ACHESIGMAR1CCR3DRD4DRD2
SCHEMBL10513195 0.89 ACHE (0.58) ACHESIGMAR1CCR3DRD4DRD2
SCHEMBL8315434 0.83 ACHE (0.71) ACHESIGMAR1CCR3DRD4DRD2
SCHEMBL4257757 0.82 ACHE (0.69) ACHESIGMAR1CCR3DRD4DRD2
SCHEMBL7363662 0.82 ACHE (0.69) ACHESIGMAR1CCR3DRD4DRD2
SCHEMBL2010139 0.82 ACHE (0.69) ACHESIGMAR1CCR3DRD4DRD2
SCHEMBL1147100 0.81 CCR3 (0.71) ACHESIGMAR1CCR3DRD4DRD2
SCHEMBL1415730 0.80 SIGMAR1 (1.00) ACHESIGMAR1CCR3DRD4MC4R
SCHEMBL8188324 0.80 SIGMAR1 (1.00) ACHESIGMAR1CCR3DRD4MC4R
SCHEMBL2489199 0.80 SIGMAR1 (1.00) ACHESIGMAR1CCR3DRD4MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302880-B Application of iron catalyst in reduction coupling reaction and preparation method of aromatic ring and heterocyclic derivative 川北医学院 2022-09-13 CN claimed
CN-111302880-A Application of iron catalyst in reduction coupling reaction and preparation method of aromatic ring and heterocyclic derivative 川北医学院 2020-06-19 CN claimed
CN-111302880-B Application of iron catalyst in reduction coupling reaction and preparation method of aromatic ring and heterocyclic derivative 川北医学院 2022-09-13 CN disclosed
CN-111302880-A Application of iron catalyst in reduction coupling reaction and preparation method of aromatic ring and heterocyclic derivative 川北医学院 2020-06-19 CN disclosed
WO-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC ACHE 2005/4885SIGMAR1 202/4885CCR3 1734/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 ACHE 657/4885SIGMAR1 500/4885CCR3 1088/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ACHE 2901/4885SIGMAR1 1024/4885CCR3 4711/4885

“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.