SCHEMBL1751964

SCHEMBL1751964

C=Cc1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.63
SLC6A4 P31645 7/20 0.63
HTR2A P28223 5/20 0.63
HTR2C P28335 5/20 0.63
MPO P05164 2/20 0.63
HTR1D P28221 10/20 0.62
HTR1B P28222 8/20 0.62
HTR2B P41595 4/20 0.60
HTR7 P34969 4/20 0.60
HTR5A P47898 4/20 0.60
HTR6 P50406 4/20 0.60
HTR1E P28566 3/20 0.60
HTR3E A5X5Y0 2/20 0.60
HTR3B O95264 2/20 0.60
HTR1F P30939 2/20 0.60
HTR3A P46098 2/20 0.60
HTR4 Q13639 2/20 0.60
HTR3D Q70Z44 2/20 0.60
HTR3C Q8WXA8 2/20 0.60
CYP1A2 P05177 1/20 0.60

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
SCHEMBL1750005 0.86 HTR1A (0.63) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL13227642 0.86 MPO (0.68) HTR1ASLC6A4HTR2AHTR2CMPO
Hydrochloric Acid SCHEMBL2990516 0.84 HTR1A (0.62) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL2998088 0.82 HTR1A (0.59) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL4226140 0.81 HTR1A (0.68) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL4055413 0.79 HTR1A (0.70) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL29633081 0.79 HTR1A (0.70) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL25380394 0.78 SLC6A4 (0.83) HTR1ASLC6A4HTR2AHTR2CMPO
Bufotenine SCHEMBL518028 0.78 HTR2C (1.00) HTR1ASLC6A4HTR2AHTR2CMPO
SCHEMBL1750785 0.78 SLC6A4 (0.83) HTR1ASLC6A4HTR2AHTR2CMPO

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 27 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
CN-1729174-B The synthesis of amine and the intermediate for the synthesis of amine CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2015-10-21 CN 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-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2010-04-08 US disclosed
US-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2010-04-08 US disclosed
US-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2010-04-08 US disclosed
US-7645886-B2 Synthesis of amines and intermediates for the synthesis thereof Ciba Specialty Corporation (US) 2010-01-12 US disclosed
US-7645886-B2 Synthesis of amines and intermediates for the synthesis thereof Ciba Specialty Corporation (US) 2010-01-12 US disclosed
US-7645886-B2 Synthesis of amines and intermediates for the synthesis thereof Ciba Specialty Corporation (US) 2010-01-12 US 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-2004056769-A2 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-08 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 (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-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS HTR1A 19/4885SLC6A4 152/4885HTR2A 14/4885
US-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof PNMT, HNMT, MAOA HTR1A 18/4885SLC6A4 97/4885HTR2A 16/4885
US-20120220782-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS HTR1A 19/4885SLC6A4 152/4885HTR2A 14/4885

“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.