SCHEMBL4490244

SCHEMBL4490244

COc1c(C)ccc2[nH]c(=O)oc(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.45
NOS1 P29475 3/20 0.40
NOS2 P35228 2/20 0.39
F2 P00734 1/20 0.39
CFD P00746 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CREBBP Q92793 1/20 0.37
NOS3 P29474 1/20 0.37
CYP19A1 P11511 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK8 P45983 1/20 0.35
CDK5 Q00535 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ELANE P08246 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1319411 0.84 AR (0.44) ARF2CFDMAOAMAOB
SCHEMBL27248704 0.83 AR (0.45) ARNOS1NOS2F2CFD
SCHEMBL29919980 0.83 AR (0.41) ARNOS1NOS2F2CFD
SCHEMBL3985564 0.83 AR (0.41) ARNOS1NOS2F2CFD
SCHEMBL27248587 0.80 ELANE (0.42) ARNOS1NOS2F2CFD
SCHEMBL4492747 0.80 NOS1 (0.44) ARNOS1NOS2F2CFD
SCHEMBL27248989 0.79 MAOA (0.38) ARNOS1NOS2F2CFD
SCHEMBL27248655 0.79 MAOA (0.38) ARNOS1NOS2MAOAMAOB
SCHEMBL4491356 0.77 NOS1 (0.42) ARNOS1NOS2F2CFD
SCHEMBL4502778 0.77 NOS1 (0.42) ARNOS1NOS2F2CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
US-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-7109338-B2 For use in the prophylaxis and the treatment of Picornavirus and human rotavirus infections. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
EP-1505067-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-09 EP disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
US-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-15 US disclosed
EP-1380575-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2004-01-14 EP disclosed
US-6541470-B1 Have a potent antiviral activity against picornaviruses and rotaviruses. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-01 US disclosed
EP-1081138-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2001-03-07 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 (4 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 AR 308/4885NOS1 2705/4885NOS2 2674/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 AR 1857/4885NOS1 2144/4885NOS2 2452/4885
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 AR 4211/4885NOS1 2786/4885NOS2 2703/4885
US-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MAVS, IRF3, EIF2AK2 AR 4416/4885NOS1 1267/4885NOS2 1932/4885

“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.