SCHEMBL1807405

SCHEMBL1807405

O=C(c1ccc2cccc(O)c2n1)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
ADRB2 P07550 1/20 0.44
PRKAA2 P54646 5/20 0.44
SCD5 Q86SK9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
PDE4D Q08499 1/20 0.41

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
SCHEMBL12188557 0.90 PIM1 (0.49) PIM1HRH3SCD5KDM4EKMT2A
SCHEMBL1810159 0.90 SCD5 (0.54) PIM1HRH3SCD5KDM4EKMT2A
SCHEMBL1807022 0.90 HRH3 (0.46) PIM1HRH3PRKAA2SCD5KDM4E
SCHEMBL1807905 0.89 PIM1 (0.45) PIM1HRH3SCD5KDM4EKMT2A
SCHEMBL1809321 0.89 HRH3 (0.47) PIM1HRH3SCD5KDM4EKMT2A
SCHEMBL1810365 0.87 PRKAA2 (0.48) HRH3PRKAA2KCNH2
SCHEMBL1805876 0.86 PDE4D (0.45) PIM1KDM4EKMT2AGAAMCHR1
SCHEMBL12188558 0.84 PIM1 (0.47) PIM1HRH3SCD5KDM4EKMT2A
SCHEMBL1808863 0.84 HRH3 (0.54) HRH3ADRB2PRKAA2SCD5KMT2A
SCHEMBL1806800 0.83 HRH3 (0.50) PIM1HRH3SCD5KMT2AGAA

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 PIM1 4238/4885HRH3 1010/4885ADRB2 199/4885

“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.