SCHEMBL1735338

SCHEMBL1735338

CON(C)C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.44
MLYCD O95822 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KCNN4 O15554 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL1829222 0.81 SIRT2 (0.47) SIRT2KCNN4
SCHEMBL7789115 0.80 SIRT2 (0.42) SIRT2CYP11B1CYP11B2
SCHEMBL7789120 0.80 SIRT2 (0.42) SIRT2CYP11B1CYP11B2
SCHEMBL1040045 0.79 CYP11B1 (0.41) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL8447651 0.79 SIRT2 (0.51) SIRT2CYP11B1CYP11B2
SCHEMBL5682164 0.78 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL670904 0.78 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL8499551 0.76 SIRT2 (0.42) SIRT2CYP11B1CYP11B2KCNN4ENPP2
SCHEMBL693097 0.76 CYP11B1 (0.41) SIRT2CYP11B1CYP11B2KCNN4TRPM8
SCHEMBL28422181 0.76 ADA (0.47) SIRT2CYP11B1CYP11B2ENPP2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540331-B2 Preparation method of dexmedetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2017-01-10 US claimed
US-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2016-09-22 US claimed
CN-108314654-B Intermediate for preparing medetomidine and preparation method and application thereof 山东百诺医药股份有限公司 2020-07-03 CN disclosed
US-9540331-B2 Preparation method of dexmedetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2017-01-10 US disclosed
US-9540331-B2 Preparation method of dexmedetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2017-01-10 US disclosed
US-9540331-B2 Preparation method of dexmedetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2017-01-10 US disclosed
US-9540331-B2 Preparation method of dexmedetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2017-01-10 US disclosed
US-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2016-09-22 US disclosed
US-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2016-09-22 US disclosed
US-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2016-09-22 US disclosed
US-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2016-09-22 US disclosed
EP-1681290-B9 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-06-19 EP disclosed
EP-1681290-B1 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2011-11-16 EP disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-7141598-B2 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2006-11-28 US disclosed
EP-1681290-A2 Imidazole derivatives, production method thereof and use thereof Takeda Pharmaceutical Company Limited (JP) 2006-07-19 EP disclosed
EP-1334106-B1 IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-24 EP disclosed
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1334106-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
WO-2002040484-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 WO 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-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE AVPR2, TET1, TET2 SIRT2 1503/4885MLYCD 1695/4885CYP11B1 34/4885
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 SIRT2 2146/4885MLYCD 2783/4885CYP11B1 12/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC SIRT2 4191/4885MLYCD 1830/4885CYP11B1 2481/4885

“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.