SCHEMBL1126883

SCHEMBL1126883

C=C(C)CN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3CCOC)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.38
TMEM97 Q5BJF2 7/20 0.38
HRH1 P35367 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ADRB1 P08588 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
HTR2C P28335 2/20 0.37
DRD3 P35462 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1E P28566 1/20 0.37
F10 P00742 1/20 0.37
RAB9A P51151 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 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
SCHEMBL1126921 0.89 MAPT (0.37) SIGMAR1TMEM97MAPTPOLBHTR2C
SCHEMBL1126928 0.89 MAPT (0.39) MAPTPOLBHTR2CDRD3F10
SCHEMBL1989043 0.89 MAPT (0.38) MAPTPOLBF10
SCHEMBL1126560 0.89 SIGMAR1 (0.40) SIGMAR1TMEM97HRH1HRH3ADRB1
SCHEMBL1999344 0.88 MAPT (0.41) MAPTPOLBRAB9A
SCHEMBL1126522 0.86 MAPT (0.37) MAPTPOLBF10RAB9A
SCHEMBL1127171 0.86 POLB (0.42) MAPTPOLBDRD3DRD2DRD4
SCHEMBL1126811 0.84 MAPT (0.36) MAPTPOLBF10
SCHEMBL1994130 0.83 MAPT (0.39) MAPTPOLBHTR2CHTR2ASLC6A4
SCHEMBL1127002 0.78 AR (0.40) MAPTHTR2CDRD3RAB9AHTR2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
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 SIGMAR1 2635/4885TMEM97 4669/4885HRH1 984/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SIGMAR1 2635/4885TMEM97 4669/4885HRH1 984/4885

“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.