SCHEMBL10104881

SCHEMBL10104881

CCCCOC(=O)N1CCC(C)=C(c2ccc(NC(=O)c3ccncc3C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NAMPT P43490 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
STAT3 P40763 1/20 0.37
NR3C1 P04150 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL987687 0.93 MAPT (0.41) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL987652 0.87 LMNA (0.41) HTTNAMPTSMN1; SMN2LMNA
SCHEMBL8232807 0.87 ERN1 (0.41) MAPTTDP1NAMPTLMNAPTPN11
SCHEMBL987057 0.85 CYP2D6 (0.41) RAB9AHSD17B10PTPN11POLB
SCHEMBL8233137 0.81 ALDH1A1 (0.41) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL987577 0.79 NAMPT (0.39) MAPTALDH1A1KDM4ETDP1HTT
SCHEMBL986122 0.79 STIM1 (0.43) RAB9AALDH1A1NPC1KDM4ENAMPT
SCHEMBL986498 0.78 STIM1 (0.50) RAB9AHPGDNPC1HTTNAMPT
SCHEMBL986996 0.76 TYK2 (0.39) MAPTRAB9AKMT2AHPGDALDH1A1
SCHEMBL8228702 0.75 PDGFRB (0.39) MAPTRAB9AKMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US disclosed
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
US-7816535-B2 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-10-19 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 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 (6 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-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 MAPT 2628/4885RAB9A 2525/4885KMT2A 3073/4885
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 MAPT 2579/4885RAB9A 2641/4885KMT2A 2678/4885
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP MAPT 3731/4885RAB9A 2612/4885KMT2A 1535/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP MAPT 3731/4885RAB9A 2612/4885KMT2A 1535/4885
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 MAPT 2628/4885RAB9A 2525/4885KMT2A 3073/4885
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 MAPT 3734/4885RAB9A 1795/4885KMT2A 1119/4885

“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.