SCHEMBL1420987

SCHEMBL1420987

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)ncc(-c2cccc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.43
NPY2R P49146 1/20 0.43
L3MBTL3 Q96JM7 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
GRIN2B Q13224 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CCR2 P41597 1/20 0.41
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 1/20 0.41
TACR2 P21452 1/20 0.40
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL1421201 0.84 GRIN2B (0.47) L3MBTL3L3MBTL1ACACBACACAGRIN2B
SCHEMBL1421105 0.83 GRIN2B (0.50) NPY2RL3MBTL3L3MBTL1GRIN2BHRH3
SCHEMBL1421384 0.83 GRIN2B (0.52) L3MBTL3L3MBTL1ACACBACACAGRIN2B
SCHEMBL1420712 0.83 IRAK4 (0.44) TRPV4NPY2RL3MBTL3L3MBTL1ACACB
SCHEMBL1420727 0.81 GRIN2B (0.48) L3MBTL3L3MBTL1ACACBACACAGRIN2B
SCHEMBL1420851 0.81 NPY2R (0.47) TRPV4NPY2RL3MBTL3L3MBTL1ACACB
SCHEMBL4407496 0.81 NPY2R (0.46) TRPV4NPY2RL3MBTL3L3MBTL1ACACB
SCHEMBL1083720 0.80 L3MBTL3 (0.53) L3MBTL3L3MBTL1HPGD
SCHEMBL1420577 0.80 NPY2R (0.46) TRPV4NPY2RL3MBTL3L3MBTL1ACACB
SCHEMBL1421156 0.80 IRAK4 (0.45) TRPV4L3MBTL3L3MBTL1ACACBACACA

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-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2297137-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 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 (1 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-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES CCR3, CCR2, CCR1 TRPV4 181/4885NPY2R 262/4885L3MBTL3 2613/4885

“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.