SCHEMBL3057797

SCHEMBL3057797

CCCc1ccccc1CCN

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 0.60
HTR2A P28223 5/20 0.56
HRH1 P35367 1/20 0.45
CYP2A6 P11509 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
CTSK P43235 1/20 0.41
HTR6 P50406 1/20 0.41
CYP2A13 Q16696 1/20 0.41
PMP22 Q01453 1/20 0.39

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
Hydrochloric Acid SCHEMBL14157333 0.98 TAAR1 (0.58) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL29488434 0.87 ADRA2B (0.44) TAAR1
SCHEMBL224549 0.87 TAAR1 (0.70) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL142479 0.87 ADRA2B (0.44) TAAR1
SCHEMBL10662902 0.86 TAAR1 (0.45) TAAR1HTR2A
SCHEMBL3067170 0.86 TAAR1 (0.56) TAAR1HTR2AHRH1CYP3A4CYP2D6
SCHEMBL2907330 0.85 TAAR1 (0.60) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL283610 0.85 PNMT (0.46) TAAR1HTR2A
Benzene SCHEMBL11786397 0.84 KDM4E (0.44) TAAR1HTR2A
SCHEMBL9839840 0.84 ADRA2B (0.43) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628374-A2 BCL-3 INHIBITORS University College Cardiff Consultants Limited (GB) 2020-04-01 EP disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-7420053-B2 2-imino-1,3-thiazine derivatives SHIONOGI & CO., LTD. (JP) 2008-09-02 US disclosed
EP-1375489-B1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO (JP) 2008-08-20 EP disclosed
EP-1219612-B1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO (JP) 2008-04-23 EP disclosed
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 US disclosed
US-6506937-B2 Used as antiarrhythmics SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-14 US disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
US-20020058838-A1 Substituted benzenesulfonylureas and -thioureas-processes for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT 2002-05-16 US disclosed
US-6335467-B1 INTERMEDIATES FOR ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
US-6090981-A ANTIARRHYTHMICS. HOECHST AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-5776980-A Substituted benzenesulfonylureas and -thioureas-process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5698596-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
EP-0612724-B1 Substituted benzenesulfonylureas and -thioureas, process for their preparation and their use as pharmaceuticals HOECHST AG (DE) 1996-12-27 EP disclosed
US-5574069-A ANTIARRHYTHMIA HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0612724-A1 Substituted benzenesulfonylureas and -thioureas, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-31 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 (4 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-20020058838-A1 Substituted benzenesulfonylureas and -thioureas-processes for their preparation and their use as pharmaceuticals KCNH1, KCNH2, KCNH3 TAAR1 442/4885HTR2A 1329/4885HRH1 70/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 TAAR1 203/4885HTR2A 228/4885HRH1 8/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885HTR2A 4718/4885HRH1 3560/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885HTR2A 8/4885HRH1 208/4885

“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.