SCHEMBL419749

SCHEMBL419749

CNCc1ccccc1OC1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.58
CARM1 Q86X55 5/20 0.48
PRMT1 Q99873 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
PRMT6 Q96LA8 2/20 0.46
UTS2R Q9UKP6 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PRMT3 O60678 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL22957689 0.84 CARM1 (0.59) HRH1CARM1PRMT1NPY1RNPY2R
SCHEMBL22957842 0.83 CARM1 (0.61) HRH1CARM1PRMT1NPY1RNPY2R
SCHEMBL14624279 0.83 HRH1 (0.62) HRH1CARM1PRMT1SMN1; SMN2SCN1A
SCHEMBL16814965 0.82 KAT2B (0.57) HRH1CARM1PRMT1PRMT6HTR2A
SCHEMBL3289933 0.82 HRH1 (0.57) HRH1CARM1PRMT1SMN1; SMN2SCN1A
SCHEMBL14578192 0.79 HRH1 (0.68) HRH1CARM1SMN1; SMN2SCN1ASCN2A
SCHEMBL899883 0.77 HRH1 (0.66) HRH1SMN1; SMN2SCN1ASCN2ASCN3A
SCHEMBL21486437 0.77 HRH1 (0.53) HRH1CARM1PRMT1SMN1; SMN2SCN1A
SCHEMBL24018776 0.77 MCHR1 (0.45) HRH1CARM1PRMT1HTR2ASLC6A4
SCHEMBL22957814 0.77 KAT2B (0.48) HRH1CARM1PRMT1HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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 (1 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 HRH1 2995/4885CARM1 3129/4885PRMT1 2790/4885

“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.