SCHEMBL827356

SCHEMBL827356

CN(C)C(=O)c1ccc2occc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.55
WNT3A P56704 8/20 0.55
HTR1B P28222 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MAPK14 Q16539 1/20 0.45
NAMPT P43490 1/20 0.45
AR P10275 1/20 0.44
CYP2A6 P11509 1/20 0.43
CHRNA7 P36544 2/20 0.42
IDO1 P14902 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL827802 0.86 HTR1B (0.55) CTNNB1WNT3AHTR1BCYP2A6CHRNA7
SCHEMBL30446573 0.84 CTNNB1 (0.50) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL1922481 0.84 CTNNB1 (0.50) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL28431104 0.80 CTNNB1 (0.59) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL103953 0.80 CTNNB1 (0.59) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL30768019 0.79 MAOA (0.43) ALDH1A1HPGDSMN1; SMN2
SCHEMBL29160425 0.79 MAOA (0.43) ALDH1A1HPGDSMN1; SMN2
SCHEMBL29987426 0.78 CTNNB1 (0.63) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL4318315 0.78 CTNNB1 (0.58) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL663873 0.78 CTNNB1 (0.63) CTNNB1WNT3AHTR1BTAS1R3TAS1R1

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 8 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
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP 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 CTNNB1 3662/4885WNT3A 1951/4885HTR1B 3539/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS CTNNB1 3056/4885WNT3A 1261/4885HTR1B 3596/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CTNNB1 3662/4885WNT3A 1951/4885HTR1B 3539/4885

“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.