SCHEMBL1809680

SCHEMBL1809680

Cn1c(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
PDE10A Q9Y233 4/20 0.46
HTR2B P41595 1/20 0.44
ADRB2 P07550 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
HRH1 P35367 1/20 0.44
MLNR O43193 1/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL1808100 0.89 EPHX2 (0.47) LMNAPDE10AHTR2BMEN1KMT2A
SCHEMBL1808777 0.89 CNR1 (0.46) PDE10AHTR2BMLNRMEN1KMT2A
SCHEMBL1810131 0.81 PDE10A (0.44) LMNAPDE10AHTR2BNPC1RAB9A
SCHEMBL20827300 0.77 HTR2B (0.54) LMNAHTTPDE10AHTR2BRAB9A
SCHEMBL1808863 0.77 HRH3 (0.54) ADRB2RAB9AMEN1KMT2A
SCHEMBL1808676 0.77 RBP4 (0.57) LMNAADRB2MLNRCYP3A4MEN1
SCHEMBL1808419 0.77 ADRB2 (0.47) LMNAHTTADRB2NPC1RAB9A
SCHEMBL1809519 0.76 PTK2 (0.58) HTTADRB2CNR1
SCHEMBL1807852 0.74 ALOX15 (0.51) LMNAHTTNPC1RAB9AKMT2A
SCHEMBL20827301 0.74 KDM4E (0.58) LMNAHTTNPC1RAB9AMEN1

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 3683/4885HTT 956/4885PDE10A 967/4885

“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.