SCHEMBL1127846

SCHEMBL1127846

CC(C)CN1CCN(c2ccc(N)cc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 4/20 0.56
GFER P55789 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
RAD52 P43351 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.40
THRB P10828 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
SCHEMBL521294 0.89 MAPT (0.54) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL521295 0.89 MAPT (0.54) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL25815331 0.84 MAPT (0.48) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL27358355 0.84 KDM4E (0.46) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL159281 0.83 MAPT (0.68) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL17265648 0.82 ALDH1A1 (0.77) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL25815151 0.81 KDM4E (0.44) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL1685150 0.80 ALDH1A1 (0.60) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL28195441 0.79 MAPT (0.56) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL24663858 0.79 ADRA1D (0.49) MAPTKDM4ESMN1; SMN2ADRA1DADRA1A

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.