SCHEMBL6115263

SCHEMBL6115263

CCCCCCCCCCc1cnc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.58
PDE10A Q9Y233 2/20 0.54
TLR8 Q9NR97 4/20 0.51
CYP1A2 P05177 1/20 0.47
TLR7 Q9NYK1 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL6114625 1.00 TRPV1 (0.58) TRPV1PDE10ATLR8CYP1A2TLR7
SCHEMBL6114751 1.00 TRPV1 (0.58) TRPV1PDE10ATLR8CYP1A2TLR7
SCHEMBL6114605 1.00 TRPV1 (0.58) TRPV1PDE10ATLR8CYP1A2TLR7
SCHEMBL6115189 1.00 TRPV1 (0.58) TRPV1PDE10ATLR8CYP1A2TLR7
SCHEMBL6114660 1.00 TRPV1 (0.58) TRPV1PDE10ATLR8CYP1A2TLR7
SCHEMBL6114969 1.00 TRPV1 (0.58) TRPV1PDE10ATLR8CYP1A2TLR7
SCHEMBL859430 0.98 TRPV1 (0.56) TRPV1PDE10ATLR8CYP1A2MEN1
SCHEMBL6114503 0.93 PDE10A (0.60) TRPV1PDE10ATLR8CYP1A2MEN1
SCHEMBL11597016 0.92 CYP1A2 (0.50) TRPV1PDE10ACYP1A2
SCHEMBL6115113 0.86 TRPV1 (0.55) TRPV1PDE10ACYP1A2MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211620-B The autofrettage of bi-quaternary ammonium salt and its intermediate Wako-chem Industries Co., Ltd. (JP) 2016-05-25 CN disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
CN-104211620-A PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEM IND LTD 2014-12-17 CN disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
CN-102482197-A Process for producing diquaternary ammonium salt and novel intermediate WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 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-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT TRPV1 2435/4885PDE10A 3929/4885TLR8 3836/4885

“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.