SCHEMBL670904

SCHEMBL670904

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.39
SIRT2 Q8IXJ6 13/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5682164 0.90 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL1040045 0.87 CYP11B1 (0.41) CYP11B1CYP11B2KDM4EENPP2SIRT2
SCHEMBL28422181 0.87 ADA (0.47) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL693097 0.87 CYP11B1 (0.41) CYP11B1CYP11B2LMNAL3MBTL1ENPP2
SCHEMBL8373202 0.84 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL1738160 0.84 AKT1 (0.41) CYP11B1CYP11B2ENPP2SIRT2ALDH1A1
SCHEMBL2664184 0.83 KDM4E (0.42) KDM4ELMNANAPRTP4HTML3MBTL1
SCHEMBL9489847 0.83 SIRT2 (0.40) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL28415779 0.83 BRD4 (0.40) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL1414901 0.83 SIRT2 (0.40) CYP11B1CYP11B2L3MBTL1SIRT2

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 142 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-103588711-B Preparation method for medetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO LTD 2015-04-08 CN claimed
CN-103588711-A Preparation method for medetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO LTD 2014-02-19 CN claimed
WO-2020239999-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-12-03 WO disclosed
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-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 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-9540331-B2 Preparation method of dexmedetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2017-01-10 US disclosed
US-9533983-B2 Antiplatelet agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-03 US disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed
US-6348480-B1 CALCIUM CHANNEL BLOCKERS AND ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
US-20010011090-A1 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2001-08-02 US disclosed
EP-1024138-A1 PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 EP disclosed
EP-0338939-B1 HISTAMINE DERIVATIVE, PROCESS FOR HIS PREPARATION AND HIS THERAPEUTIC APPLICATION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-01-27 EP disclosed
US-5034539-A Histamine derivative, process for preparing it and its therapeutic use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1991-07-23 US disclosed
EP-0338939-A1 Histamine derivative, process for his preparation and his therapeutic application INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1989-10-25 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 (2 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 CYP11B1 34/4885CYP11B2 31/4885KDM4E 855/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 CYP11B1 480/4885CYP11B2 555/4885KDM4E 2975/4885

“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.