SCHEMBL1751353

SCHEMBL1751353

CN(C)CCc1cn(Cc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.72
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ PLA2G4A P47712 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CACNB4 O00305 1/20 0.46
▸ CACNA1A O00555 1/20 0.46
▸ CACNA1G O43497 1/20 0.46
▸ CACNG3 O60359 1/20 0.46
▸ CACNA1F O60840 1/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ CACNB3 P54284 1/20 0.46
▸ CACNA2D1 P54289 1/20 0.46
▸ CACNG7 P62955 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ CACNA1D Q01668 1/20 0.46
▸ CACNB1 Q02641 1/20 0.46

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
SCHEMBL3264614 0.86 HTR6 (0.54) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL1751212 0.85 HTR6 (0.72) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL2975416 0.83 HTR6 (1.00) HTR6MTNR1AMTNR1B
SCHEMBL18567886 0.81 KMT2A (0.48) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL1751127 0.80 PLA2G2A (0.55) PLA2G4AALDH1A1
SCHEMBL6820226 0.80 HTR6 (0.49) HTR6ALDH1A1
Hydrochloric Acid SCHEMBL5330716 0.79 HTR6 (0.51) HTR6
SCHEMBL9765127 0.78 HTR6 (0.61) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL3257594 0.77 HTR6 (0.60) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL20787968 0.77 HDAC1 (0.48) HTR6HDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572647-B1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2016-09-21 — — EP disclosed
EP-1572647-B1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2016-09-21 — — EP disclosed
US-8822702-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2014-09-02 — — US disclosed
US-8822702-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2014-09-02 — — US disclosed
US-8822702-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2014-09-02 — — US disclosed
US-8710093-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE Ludwigshafen (DE) 2014-04-29 — — US disclosed
EP-2666772-A1 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2013-11-27 — — EP disclosed
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BERENS ULRICH (DE) 2012-08-30 — — US disclosed
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BERENS ULRICH (DE) 2012-08-30 — — US disclosed
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BERENS ULRICH (DE) 2012-08-30 — — US disclosed
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan RATIOPHARM GMBH (DE) 2007-05-31 — — US disclosed
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan RATIOPHARM GMBH (DE) 2007-05-31 — — US disclosed
EP-1751104-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN ratiopharm GmbH (DE) 2007-02-14 — — EP disclosed
US-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof CIBA CORPORATION 2006-03-16 — — US disclosed
CN-1729174-A Synthesis of amines and intermediates for the synthesis thereof CIBA SC HOLDING AG (CH) 2006-02-01 — — CN disclosed
EP-1572647-A2 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF Ciba SC Holding AG (CH) 2005-09-14 — — EP disclosed
WO-2005075422-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN RATIOPHARM GMBH (DE) 2005-08-18 — — WO disclosed
WO-2004056769-A2 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-08 — — WO disclosed
EP-0975594-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LTD (GB) 2002-09-18 — — EP disclosed
US-6281357-B1 HEADACHE THERAPY PFIZER INC 2001-08-28 — — 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 (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-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof PNMT, HNMT, MAOA HTR6 31/4885HDAC1 2849/4885HDAC10 1570/4885
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan HTR7, HRH4, CA7 HTR6 74/4885HDAC1 189/4885HDAC10 334/4885
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS HTR6 40/4885HDAC1 3210/4885HDAC10 2166/4885

“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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