SCHEMBL1127098

SCHEMBL1127098

CC(C)C(C)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
ALDH1A1 P00352 7/20 0.58
GFER P55789 5/20 0.58
GAA P10253 5/20 0.58
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 2/20 0.58
ADRA2C P18825 2/20 0.58
PTK2B Q14289 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 5/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAD52 P43351 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
CASP6 P55212 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL188924 0.85 MAPT (0.67) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL1813259 0.81 MAPT (0.58) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL25160788 0.81 MAPT (0.49) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL6151120 0.79 MAPT (0.77) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL7043679 0.79 MAPT (0.77) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL23347931 0.79 MAPT (0.77) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL5744901 0.79 MAPT (0.59) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL27563955 0.77 MAPT (0.53) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL27563954 0.77 GFER (0.58) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL1048101 0.76 MAPT (0.61) MAPTALDH1A1GFERGAAKDM4E

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-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885ALDH1A1 219/4885GFER 1780/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885ALDH1A1 219/4885GFER 1780/4885

“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.