SCHEMBL1807733

SCHEMBL1807733

Cc1noc(-c2ccccc2C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
NPC1 O15118 1/20 0.56
ALOX15 P16050 1/20 0.56
RAB9A P51151 1/20 0.56
HCRTR1 O43613 9/20 0.54
HCRTR2 O43614 9/20 0.54
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1806862 0.77 FPR2 (0.52)
SCHEMBL3661610 0.77 HCRTR1 (0.65) LMNAHCRTR1HCRTR2TSHRNPSR1
SCHEMBL4238426 0.77 HCRTR1 (0.65) LMNAHCRTR1HCRTR2TSHRNPSR1
SCHEMBL1809962 0.76 MGLL (0.64)
SCHEMBL1809963 0.75 POLB (0.56) ALDH1A1
SCHEMBL1811107 0.75 KCNH2 (0.48) KCNH2MCHR1
SCHEMBL1809256 0.75 MGLL (0.68) LMNANPC1ALOX15TSHRALDH1A1
SCHEMBL1807153 0.74 MGLL (0.51)
SCHEMBL1810192 0.74 CYP2D6 (0.63) NPC1RAB9AKCNH2MCHR1
SCHEMBL1809266 0.74 MGLL (0.52) NPC1RAB9AALDH1A1SMN1; 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 LMNA 3683/4885NPC1 1433/4885ALOX15 2862/4885

“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.