SCHEMBL1126664

SCHEMBL1126664

COCC(C)N1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 4/20 0.45
SLC1A2 P43004 1/20 0.41
CCR3 P51677 2/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1127203 0.86 NPY2R (0.44) NPY2RSLC1A2CCR3GAAMAPT
SCHEMBL1127163 0.84 MAPT (0.41) NPY2RGAAMAPTALDH1A1POLB
SCHEMBL1126843 0.83 SLC1A2 (0.41) NPY2RSLC1A2CCR3HTR1AHTR1D
SCHEMBL1127152 0.83 NAMPT (0.53) SLC1A2MAPTALDH1A1POLBNPC1
SCHEMBL1126696 0.82 MAPT (0.50) GAAMAPTALDH1A1POLBNPC1
SCHEMBL1126487 0.81 MAPT (0.51) GAAMAPTALDH1A1POLBHSD17B10
SCHEMBL1127109 0.81 MAPT (0.52) GAAMAPTALDH1A1HSD17B10NPC1
SCHEMBL1126909 0.79 MEN1 (0.41) NPY2RGAAMAPTALDH1A1POLB
SCHEMBL1992485 0.78 ALDH1A1 (0.48) HTR1AHTR2AHTR2CGAAMAPT
SCHEMBL19661313 0.78 GAA (0.42) GAAMAPTALDH1A1POLBHSD17B10

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 15 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
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 NPY2R 1755/4885SLC1A2 2155/4885CCR3 2595/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPY2R 1755/4885SLC1A2 2155/4885CCR3 2595/4885

“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.