SCHEMBL1808151

SCHEMBL1808151

O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
ADRB2 P07550 1/20 0.51
PRKAA2 P54646 3/20 0.49
OXTR P30559 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR183 P32249 1/20 0.48
KCNH2 Q12809 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 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
SCHEMBL1809453 0.90 LMNA (0.53) LMNAGAACYP3A4CYP2C9CYP2C19
SCHEMBL1809345 0.80 ADRB2 (0.71) LMNAHTTADRB2ALDH1A1SMN1; SMN2
SCHEMBL3090019 0.80 HRH3 (0.67) LMNAGAACYP3A4CYP2C9CYP2C19
SCHEMBL1811158 0.76 HPGD (0.54) LMNAGAAADRB2PRKAA2RAB9A
SCHEMBL29944113 0.76 LMNA (0.67) LMNAGAACYP3A4CYP2C9CYP2C19
SCHEMBL14006695 0.75 HRH3 (0.67) KCNH2
SCHEMBL1807899 0.75 ADRB2 (0.67) LMNAHTTADRB2PRKAA2ALDH1A1
SCHEMBL1807473 0.74 ADRB2 (0.50) LMNAGAAADRB2ALDH1A1SMN1; SMN2
SCHEMBL1809532 0.74 HSD11B1 (0.55) LMNAHTTADRB2ALDH1A1SMN1; SMN2
SCHEMBL31428894 0.74 LMNA (0.68) LMNAGAACYP3A4CYP2C9CYP2C19

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 9 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
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 3683/4885GAA 1906/4885CYP3A4 1431/4885

“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.