SCHEMBL12099754

SCHEMBL12099754

O=Cc1ccc(OC2CCOCC2)nc1N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.40
GPR6 P46095 1/20 0.39
ACACB O00763 4/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPK14 Q16539 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CHRM4 P08173 2/20 0.36
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL12099466 0.83 P2RX3 (0.40) P2RX3ACACBMEN1KMT2AFFAR1
SCHEMBL12100034 0.83 MAPK14 (0.48) GPR6ACACBKCNH2HRH3FFAR1
SCHEMBL12099455 0.82 KCNH2 (0.45) GPR6ACACBKCNH2HRH3FFAR1
SCHEMBL12099598 0.81 MAPK14 (0.44) P2RX3GPR6ACACBMEN1KMT2A
SCHEMBL12100012 0.81 FFAR4 (0.39) P2RX3ACACBKCNH2HRH3FFAR1
SCHEMBL12099593 0.77 ALDH1A1 (0.45) GPR6KCNH2HRH3MEN1KMT2A
SCHEMBL12099601 0.74 MAPK14 (0.48) GPR6ACACBKCNH2HRH3MEN1
SCHEMBL12099719 0.73 GPR6 (0.39) GPR6ACACBKCNH2MEN1KMT2A
SCHEMBL12099441 0.73 EPHX2 (0.44) ACACBKCNH2HRH3FFAR1CHRM4
SCHEMBL12100236 0.72 ACACB (0.41) ACACBKCNH2HRH3PDE10AFPR2

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 2 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 disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US 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 P2RX3 109/4885GPR6 722/4885ACACB 3122/4885

“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.