SCHEMBL1809539

SCHEMBL1809539

O=C(c1cnn(Cc2ccccc2)c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.51
▸ PKM P14618 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RIPK1 Q13546 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ KCNH2 Q12809 4/20 0.50
▸ MCHR1 Q99705 4/20 0.50
▸ CNR1 P21554 2/20 0.50
▸ EPHX2 P34913 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ PROKR1 Q8TCW9 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PRSS12 P56730 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1808901 0.82 MGLL (0.63) LMNAEPHX2MAPTALDH1A1HTT
SCHEMBL1808958 0.79 PROKR1 (0.61) KCNH2MCHR1ALDH1A1PROKR1HTT
SCHEMBL1806630 0.78 HRH3 (0.64) KCNH2MAPTALDH1A1HTTMEN1
SCHEMBL1810921 0.77 CACNB4 (0.51) LMNANPSR1CNR1ALDH1A1HTT
SCHEMBL21193560 0.76 GRIN1 (0.47) LMNAPKMNPSR1RIPK1GRIN1
SCHEMBL1811365 0.76 MGLL (0.65) KCNH2MAPTALDH1A1HTTMEN1
SCHEMBL1806962 0.76 MAPT (0.59) LMNAEPHX2MAPTALDH1A1HTT
SCHEMBL1806216 0.76 ALDH1A1 (0.60) EPHX2MAPTALDH1A1HTTMEN1
SCHEMBL1806520 0.75 ALDH1A1 (0.60) PKMGRIN1GRIN2BKCNH2MCHR1
SCHEMBL1808184 0.75 HRH3 (0.63) KCNH2EPHX2ALDH1A1HTT

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 3683/4885PKM 3892/4885NPSR1 265/4885

“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.

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