SCHEMBL1127096

SCHEMBL1127096

CN1CCN(c2cccc3c(N)cccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.68
HTR3A P46098 5/20 0.53
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
NCF1 P14598 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
PTK2B Q14289 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL29509033 0.89 ADRA2C (0.62) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL3623865 0.89 ADRA2C (0.62) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL3616397 0.83 ADRA2C (0.56) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL1509507 0.81 ADRA2C (0.72) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL31172405 0.81 ADRA2C (0.72) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL1926749 0.81 ADRA2C (1.00) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL29586390 0.81 ADRA2C (1.00) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL6002186 0.79 DRD2 (0.69) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL6002177 0.78 HTR1A (0.62) ADRA2CHTR3ADRD2DRD3NCF1
SCHEMBL28311804 0.78 ADRA2C (0.53) ADRA2CHTR3ADRD2DRD3NCF1

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 ADRA2C 3763/4885HTR3A 4268/4885DRD2 2160/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ADRA2C 3763/4885HTR3A 4268/4885DRD2 2160/4885

“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.