SCHEMBL1126768

SCHEMBL1126768

CN(C)CCn1ccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
KDM1A O60341 2/20 0.41
HTR2C P28335 2/20 0.41
LSS P48449 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
HTR6 P50406 3/20 0.38
HTR7 P34969 4/20 0.38
HTR1D P28221 1/20 0.37
MAPT P10636 2/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
HRH1 P35367 3/20 0.36
CHRM2 P08172 2/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36

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
SCHEMBL1126872 0.76 CA12 (0.41)
SCHEMBL12605596 0.75 ALDH1A1 (0.40) TAAR1MAPTCYP2C19
SCHEMBL30478876 0.72 ITGB2 (0.39) HTR2AKDM1AHTR2CTAAR1HTR6
SCHEMBL1126326 0.72 HTR6 (0.37) HTR2AKDM1AHTR2CHTR6HTR7
SCHEMBL28210243 0.70 AR (0.40) TSHR
SCHEMBL1127117 0.70 KDM4E (0.39) MAPTLMNASLC2A1
SCHEMBL28196405 0.69 CYP11B1 (0.53) MAPTCYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL1126850 0.69 SLC18A3 (0.45) MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL1126509 0.69 HTR2A (0.42) HTR2AHTR2CLSSTAAR1HTR6
SCHEMBL7656510 0.68 TAAR1 (0.42) TAAR1KDM5AKDM5BTSHR

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 HTR2A 4641/4885KDM1A 630/4885HTR2C 4644/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HTR2A 4641/4885KDM1A 630/4885HTR2C 4644/4885

“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.