SCHEMBL826567

SCHEMBL826567

CCC(CCl)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
KCNA5 P22460 6/20 0.47
KCNH2 Q12809 3/20 0.47
CYP2D6 P10635 2/20 0.45
KCNE1 P15382 2/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 3/20 0.42
CHRM2 P08172 3/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39

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
SCHEMBL29520435 0.88 TSHR (0.62) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL65284 0.88 TSHR (0.62) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL177780 0.81 TSHR (0.55) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL19090262 0.81 TSHR (0.55) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL19090261 0.81 TSHR (0.55) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL24126990 0.81 TSHR (0.55) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL20214862 0.81 TSHR (0.55) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL19090263 0.81 TSHR (0.55) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL19079572 0.79 TSHR (0.53) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL16124411 0.79 TSHR (0.53) TSHRKCNA5KCNH2CYP2D6KCNE1

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
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (3 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS TSHR 3422/4885KCNA5 1517/4885KCNH2 2653/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS TSHR 3841/4885KCNA5 2248/4885KCNH2 3128/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS TSHR 3422/4885KCNA5 1517/4885KCNH2 2653/4885

“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.