SCHEMBL2499595

SCHEMBL2499595

CCCCN(CC)COC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
KCNH2 Q12809 9/20 0.35
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL2497623 0.90 CA12 (0.36) CA12CA1CA9HTR1B
SCHEMBL2494844 0.85 CA12 (0.33) CA12CA1CA9KCNH2
SCHEMBL2499563 0.84
SCHEMBL2497813 0.78 KDM5A (0.37) CA12CA1CA9KCNH2PLA2G1B
SCHEMBL12484771 0.78 HTR1B (0.44) CA12CA1CA9KCNH2PLA2G1B
SCHEMBL5892413 0.78
SCHEMBL863172 0.78
SCHEMBL22725 0.78
SCHEMBL217114 0.78 KCNH2 (0.47) CA12CA1CA9KCNH2PLA2G1B
SCHEMBL2002515 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072496-B1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT OTSUKA CHEMICAL CO LTD (JP) 2017-11-15 EP disclosed
CN-101516829-B Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO LTD 2013-01-16 CN disclosed
CN-101516862-B Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO.,LTD. (JP) 2012-02-01 CN disclosed
US-8029690-B2 Process for production of highly pure quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-8029689-B2 Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20110166363-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-07-07 US disclosed
US-20100044617-A1 Method for producing high-purity quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2010-02-25 US disclosed
US-20090272933-A1 Process for production of highly pure quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2009-11-05 US disclosed
EP-2098518-A1 PROCESS FOR PRODUCTION OF HIGHLY PURE QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-09-09 EP disclosed
CN-101516829-A Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO LTD (JP) 2009-08-26 CN disclosed
CN-101516862-A Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO LTD (JP) 2009-08-26 CN disclosed
EP-2072496-A1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-06-24 EP 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-20110166363-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT CA12 3850/4885CA1 3902/4885CA9 3172/4885

“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.