SCHEMBL1806565

SCHEMBL1806565

O=C(c1ccc2nccnc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.54
HRH3 Q9Y5N1 3/20 0.53
ALDH1A1 P00352 2/20 0.50
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
EPHX2 P34913 3/20 0.47
MGLL Q99685 2/20 0.46
CCR3 P51677 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2J2 P51589 1/20 0.45

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
SCHEMBL1810610 0.87 LMNA (0.54) HTTHRH3ALDH1A1CCR3
SCHEMBL1809973 0.85 GRIA3 (0.57) HTTHRH3ALDH1A1EPHX2MGLL
SCHEMBL1806630 0.84 HRH3 (0.64) HTTHRH3ALDH1A1MGLLKMT2A
SCHEMBL1808684 0.84 HRH3 (0.50) HPGDHTTHRH3ALDH1A1EPHX2
SCHEMBL1809453 0.83 LMNA (0.53) HTTHRH3ALDH1A1KMT2ACYP2C9
SCHEMBL1807115 0.82 HPGD (0.52) HPGDHRH3ALDH1A1MGLLKMT2A
SCHEMBL1807537 0.82 HRH3 (0.50) HTTHRH3ALDH1A1NOS3NOS1
SCHEMBL1806216 0.82 ALDH1A1 (0.60) HTTHRH3ALDH1A1EPHX2MGLL
SCHEMBL1809437 0.81 PROKR1 (0.56) HTTHRH3ALDH1A1NOS3NOS1
SCHEMBL4672717 0.81 HRH3 (0.58) HPGDHRH3KMT2A

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 HPGD 1786/4885HTT 956/4885HRH3 1010/4885

“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.