SCHEMBL942977

SCHEMBL942977

Cc1cc(C)nc(N2CCC(=O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
CHRM1 P11229 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
KMT2A Q03164 1/20 0.40
GBA1 P04062 2/20 0.37
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL12250749 0.81 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2KMT2AGBA1
SCHEMBL945117 0.76 CASP1 (0.53) CRHBPCRHR2SMN1; SMN2KMT2AHTR6
SCHEMBL970205 0.76 KMT2A (0.67) CRHBPCRHR2SMN1; SMN2KMT2AMAPT
SCHEMBL7018213 0.76 KCNQ2 (0.47) KMT2AMAPTNPSR1GFERKDM4E
SCHEMBL7655419 0.72 CYP17A1 (0.41) SMN1; SMN2KMT2AMAPTHRH4LMNA
SCHEMBL7806232 0.72 L3MBTL1 (0.50) SMN1; SMN2KMT2AL3MBTL1KDM4ELMNA
SCHEMBL2272151 0.71 CYP17A1 (0.39) CRHBPCRHR2SMN1; SMN2MAPTHRH4
SCHEMBL1358817 0.71 LMNA (0.46) SMN1; SMN2MAPTNPSR1L3MBTL1LMNA
SCHEMBL12490612 0.70 KCNH2 (0.41) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL943023 0.70 MAPT (0.55) CRHBPCRHR2SMN1; SMN2KMT2AMAPT

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
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 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 (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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 CRHBP 4846/4885CRHR2 1828/4885SMN1; SMN2 3682/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 CRHBP 4885/4885CRHR2 3610/4885SMN1; SMN2 3079/4885
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 CRHBP 4880/4885CRHR2 3417/4885SMN1; SMN2 3050/4885

“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.