SCHEMBL1646885

SCHEMBL1646885

CCc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C(C)C)cc5ccccn45)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 2/20 0.43
REV1 Q9UBZ9 3/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PANK3 Q9H999 2/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
RCE1 Q9Y256 1/20 0.37
THRB P10828 2/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1646423 0.89 KDM4E (0.40) DRD2DRD4DRD3MAPTMEN1
SCHEMBL1644937 0.88 PANK3 (0.48) DRD2DRD4DRD3MAPTMEN1
SCHEMBL1646298 0.87 THRB (0.51) DRD2DRD4DRD3REV1MAPT
SCHEMBL2231498 0.86 DRD2 (0.42) DRD2DRD4DRD3REV1MAPT
SCHEMBL2230946 0.85 DRD2 (0.42) DRD2DRD4DRD3REV1MAPT
SCHEMBL1646661 0.85 THRB (0.49) DRD2DRD4DRD3REV1MAPT
SCHEMBL1646559 0.85 KMT2A (0.38) DRD2DRD4DRD3REV1MAPT
SCHEMBL1646300 0.84 DRD2 (0.41) DRD2DRD4DRD3REV1MAPT
SCHEMBL2230688 0.82 F13A1 (0.40) DRD3MAPTMEN1KMT2APANK3
SCHEMBL1646393 0.81 MAPT (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN 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-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 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 (2 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 DRD2 526/4885DRD4 280/4885DRD3 503/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 DRD2 3313/4885DRD4 3126/4885DRD3 3211/4885

“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.