SCHEMBL3074896

SCHEMBL3074896

NC[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.62
CXCR4 P61073 2/20 0.55
ACHE P22303 3/20 0.54
ALDH1A1 P00352 4/20 0.54
BCHE P06276 2/20 0.54
BACE1 P56817 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
PRMT3 O60678 1/20 0.53
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT1 Q99873 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
ATM Q13315 2/20 0.51
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL242758 1.00 CCR3 (0.62) CCR3CXCR4ACHEALDH1A1BCHE
SCHEMBL1180490 1.00 CCR3 (0.62) CCR3CXCR4ACHEALDH1A1BCHE
SCHEMBL3172847 0.91 CYP2D6 (0.62) CCR3CXCR4ALDH1A1CYP2D6ATM
SCHEMBL992110 0.90 CYP2D6 (0.62) CCR3ACHEALDH1A1BCHECYP1A2
SCHEMBL1061878 0.89 CCR3 (0.71) CCR3CXCR4ACHEALDH1A1BCHE
Hydrochloric Acid SCHEMBL31687488 0.89 CYP2D6 (0.60) CCR3ACHEALDH1A1BCHECYP1A2
SCHEMBL15064714 0.89 CCR3 (0.57) CCR3CXCR4ACHEALDH1A1BCHE
Hydrochloric Acid SCHEMBL4882236 0.88 CCR3 (0.69) CCR3CXCR4ACHEALDH1A1BCHE
Hydrochloric Acid SCHEMBL7838855 0.88 CCR3 (0.69) CCR3CXCR4ACHEALDH1A1BCHE
SCHEMBL5969011 0.87 CCR3 (0.58) CCR3CXCR4ACHEALDH1A1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903372-B Heteroaryl derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2014-06-18 CN disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
US-7432271-B2 Pyrazolyl inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-07 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005047293-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-05-26 WO disclosed
US-6890938-B2 Indole-type inhibitors of p38 kinase SCIOS, INC. (US) 2005-05-10 US disclosed
US-20050070589-A1 Pyrazolyl inhibitors of 15- lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2005-03-31 US disclosed
EP-1339708-A2 INDOLE-TYPE INHIBITORS OF P38 KINASE Scios Inc. (US) 2003-09-03 EP disclosed
US-20030100588-A1 Indole-type inhibitors of p38 kinase SCIOS, INC. 2003-05-29 US disclosed
WO-2002044168-A2 INDOLE-TYPE INHIBITORS OF P38 KINASE SCIOS INC. (US) 2002-06-06 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 (5 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CCR3 3714/4885CXCR4 4067/4885ACHE 403/4885
US-20050070589-A1 Pyrazolyl inhibitors of 15- lipoxygenase ALOX15, ALOX5, ALOX15B CCR3 2521/4885CXCR4 3014/4885ACHE 2188/4885
US-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL CCR3 4258/4885CXCR4 3938/4885ACHE 423/4885
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A CCR3 965/4885CXCR4 755/4885ACHE 4160/4885
US-20030100588-A1 Indole-type inhibitors of p38 kinase CNKSR1, MAPK1, MAP2K6 CCR3 652/4885CXCR4 453/4885ACHE 4718/4885

“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.