SCHEMBL3123741

SCHEMBL3123741

Cc1ccc(C)c(N2CC[N]CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ TSHR P16473 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ SLC18A3 Q16572 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PAX2 Q02962 1/20 0.47

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
SCHEMBL2836561 0.85 MAPT (0.51) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL3162979 0.82 SLC18A3 (0.57) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL28188649 0.82 SLC18A3 (0.57) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL5239265 0.81 NPSR1 (0.58) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL16727174 0.80 SLC18A3 (0.55) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL2092264 0.79 MAPT (0.50) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL13292998 0.78 MEN1 (0.57) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL4147109 0.78 ALDH1A1 (0.44) MAPTTSHRALDH1A1HTTSMN1; SMN2
SCHEMBL3885064 0.77 KMT2A (0.53) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL29805912 0.77 HTR1A (0.62) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 — — EP claimed
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACADIA PHARMACEUTICALS INC. 2006-09-28 — — US claimed
WO-2006089286-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2006-08-24 — — WO claimed
US-6515122-B1 The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing tetracyclic benzimidazole derivative compounds. LION BIOSCIENCE AG (DE) 2003-02-04 — — US claimed
EP-1218384-A4 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-11-20 — — EP claimed
EP-1218384-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 — — EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 — — WO claimed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
EP-0740649-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE Byk Nederland BV (NL) 1996-11-06 — — EP disclosed
EP-0731801-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-09-18 — — EP disclosed
WO-1996002505-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-01 — — WO disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 — — WO disclosed
WO-1995019952-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-07-27 — — WO disclosed
WO-1995015324-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-06-08 — — 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 (5 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-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACHE, OPRL1, OPRK1 MAPT 2600/4885TSHR 4277/4885MEN1 4252/4885
US-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA MAPT 1246/4885TSHR 3707/4885MEN1 4485/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA MAPT 1246/4885TSHR 3707/4885MEN1 4485/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA MAPT 1246/4885TSHR 3707/4885MEN1 4485/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA MAPT 1246/4885TSHR 3707/4885MEN1 4485/4885

“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.

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