SCHEMBL1809345

SCHEMBL1809345

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

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.71
PLA2G1B P04054 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
HSD11B1 P28845 5/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.58
PARP10 Q53GL7 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HRH3 Q9Y5N1 2/20 0.56
HRH1 P35367 1/20 0.56
MGLL Q99685 1/20 0.55

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
SCHEMBL1807899 0.93 ADRB2 (0.67) ADRB2PLA2G1BATG4BHSD11B1ALDH1A1
SCHEMBL1809942 0.86 GAA (0.61) ADRB2PLA2G1BATG4BHSD11B1ALDH1A1
SCHEMBL1806630 0.85 HRH3 (0.64) ADRB2ALDH1A1KMT2AHTTMEN1
SCHEMBL27900122 0.84 ADRB2 (0.53) ADRB2PLA2G1BATG4B
SCHEMBL1809532 0.84 HSD11B1 (0.55) ADRB2PLA2G1BATG4BHSD11B1ALDH1A1
SCHEMBL4672614 0.84 HRH3 (0.64) ADRB2PLA2G1BATG4BALDH1A1KMT2A
SCHEMBL4670447 0.84 HRH3 (0.64) ADRB2PLA2G1BATG4BHSD11B1ALDH1A1
SCHEMBL28171807 0.83 HSD11B1 (0.63) HSD11B1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4578888 0.83 ADRB2 (0.52) ADRB2PLA2G1BATG4B
SCHEMBL1809075 0.83 HRH3 (0.59) ADRB2HSD11B1ALDH1A1LMNASMN1; SMN2

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 199/4885PLA2G1B 2194/4885ATG4B 4124/4885

“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.