SCHEMBL6839690

SCHEMBL6839690

CC1Cc2ccc(Br)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.58
ADRA2A P08913 4/20 0.58
ADRA2B P18089 3/20 0.58
ADRA2C P18825 3/20 0.58
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM1A O60341 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 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
SCHEMBL13631383 1.00 PNMT (0.58) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL25800726 0.86 PNMT (0.58) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL15854888 0.84 PNMT (0.47) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL4758601 0.84 PNMT (0.51) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL31067718 0.84 PNMT (0.47) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL16233587 0.84 PNMT (0.47) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL9071241 0.84 PNMT (0.51) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL10683761 0.81 PNMT (0.49) PNMTADRA2AADRA2BADRA2COPRM1
SCHEMBL13227654 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2CKDM1A
SCHEMBL7551539 0.77 PNMT (0.48) PNMTADRA2AADRA2BADRA2CKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183199-A1 2-AMINOINDANE COMPOUNDS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC. (US) 2023-06-15 US disclosed
WO-2022241257-A1 NAMPT INHBITORS AND USES THEREOF REMEDY PLAN, INC. (US) 2022-11-17 WO disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-7618969-B2 Compounds which potentiate glutamate receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2009-11-17 US disclosed
US-7572819-B2 Compounds which potentiate glutamate receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-20080194648-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED 2008-08-14 US disclosed
US-20070161638-A1 Compounds which potentiate glutamate receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2007-07-12 US disclosed
US-6759103-B2 NEMATIC, CHOLESTERIC OR CHIRAL SMECTIC LIQUID-CRYSTAL MIXTURES HAVING HIGH ABSOLUTE DIELECTRIC ANISOTROPY VALUES AND WITH A FAVORABLE VISCOSITY/CLEARING POINT RELATIONSHIP; PHOTOSTABILITY; HEAT AND ULTRAVIOLET RADIATION RESISTANCE CLARIANT FINANCI (BVI) LIMITED (VG) 2004-07-06 US disclosed
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance CLARIANT INTERNATIONAL LTD. 2003-05-15 US disclosed
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 US 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 (8 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-20070161638-A1 Compounds which potentiate glutamate receptor and uses thereof in medicine GRM1, GRIN1, HCAR1 PNMT 2532/4885ADRA2A 577/4885ADRA2B 620/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT PNMT 2835/4885ADRA2A 2096/4885ADRA2B 967/4885
US-20230183199-A1 2-AMINOINDANE COMPOUNDS FOR MENTAL DISORDERS OR ENHANCEMENT AADAT, SLC1A2, TPH2 PNMT 4/4885ADRA2A 87/4885ADRA2B 155/4885
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 PNMT 3066/4885ADRA2A 4784/4885ADRA2B 4749/4885
US-20080194648-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GRM1, GRIN1, HCAR1 PNMT 2532/4885ADRA2A 577/4885ADRA2B 620/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT PNMT 2835/4885ADRA2A 2096/4885ADRA2B 967/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 PNMT 3066/4885ADRA2A 4784/4885ADRA2B 4749/4885
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance SCO2, CNOT1, HCFC1 PNMT 3043/4885ADRA2A 3398/4885ADRA2B 3475/4885

“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.