SCHEMBL1807899

SCHEMBL1807899

O=C(c1ccc(F)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.67
MGLL Q99685 4/20 0.66
HSD11B1 P28845 4/20 0.66
HRH3 Q9Y5N1 1/20 0.58
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
HSP90AA1 P07900 1/20 0.58
EPHX2 P34913 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.53
PRKAA2 P54646 1/20 0.52

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
SCHEMBL1806630 0.93 HRH3 (0.64) ADRB2MGLLHRH3ALDH1A1MAPT
SCHEMBL1809345 0.93 ADRB2 (0.71) ADRB2MGLLHSD11B1HRH3PLA2G1B
SCHEMBL1811365 0.88 MGLL (0.65) ADRB2MGLLHRH3ALDH1A1MAPT
SCHEMBL1806962 0.88 MAPT (0.59) ADRB2MGLLHRH3EPHX2ALDH1A1
SCHEMBL12188726 0.88 MGLL (0.67) ADRB2MGLLHRH3ALDH1A1MAPT
SCHEMBL1805653 0.87 PARP10 (0.58) ADRB2MGLLHRH3ALDH1A1MAPT
SCHEMBL1807314 0.87 MGLL (0.58) ADRB2MGLLHRH3PLA2G1BATG4B
SCHEMBL1808218 0.87 MGLL (0.66) ADRB2MGLLHRH3ALDH1A1LMNA
SCHEMBL1809057 0.87 MGLL (0.73) ADRB2MGLLHSD11B1HRH3ALDH1A1
SCHEMBL1808901 0.86 MGLL (0.63) MGLLHRH3EPHX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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 (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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B ADRB2 199/4885MGLL 4513/4885HSD11B1 2985/4885

“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.