SCHEMBL1647718

SCHEMBL1647718

Nc1ccc(N2CCN(c3ccc(CN4CCOCC4)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.61
ALDH1A1 P00352 4/20 0.56
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
GFER P55789 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
RAD52 P43351 1/20 0.53
DRD4 P21917 3/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
KCNJ1 P48048 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRA2C P18825 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL60797 0.91 HRH3 (0.71) HRH3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL23114261 0.90 HRH3 (0.69) HRH3ALDH1A1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4468475 0.90 HRH3 (0.69) HRH3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL13266893 0.86 HRH3 (0.82) HRH3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1021408 0.85 SMN1; SMN2 (0.45) HRH3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL18747989 0.85 ALDH1A1 (0.68) HRH3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11552519 0.82 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2LMNAGFER
SCHEMBL6698551 0.82 MAPT (0.74) ALDH1A1MAPTSMN1; SMN2LMNAGFER
SCHEMBL11554438 0.82 MAPT (0.65) ALDH1A1MAPTSMN1; SMN2LMNAGFER
SCHEMBL13244883 0.82 HRH3 (0.59) HRH3ALDH1A1SMN1; SMN2LMNANOS3

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 6 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 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-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 HRH3 148/4885ALDH1A1 2813/4885MAPT 1771/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HRH3 393/4885ALDH1A1 318/4885MAPT 2950/4885

“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.