SCHEMBL790773

SCHEMBL790773

CN(C)C(C)(CCO)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
KDM1A O60341 4/20 0.48
CHRM2 P08172 4/20 0.46
HTR1A P08908 4/20 0.46
ADRA2A P08913 4/20 0.46
CHRM1 P11229 4/20 0.46
DRD1 P21728 4/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
ADRA1A P35348 4/20 0.46
OPRM1 P35372 4/20 0.46
DRD3 P35462 4/20 0.46
KCNH2 Q12809 4/20 0.46
LMNA P02545 4/20 0.46
SLC22A1 O15245 3/20 0.46
CYP1A2 P05177 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
PTGS1 P23219 3/20 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
SCHEMBL5000805 0.74 CYP2D6 (0.65) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL8019998 0.69 CYP2D6 (0.67) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL2561326 0.69 CYP3A4 (0.30) CYP2D6CYP2C19CYP3A4
SCHEMBL30058159 0.69 LMNA (0.62) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL2595053 0.69 LMNA (0.62) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL18550493 0.68 CYP2D6 (0.56) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL9611564 0.68 KDM1A (0.68) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL27935720 0.67 KDM1A (0.57) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL2595919 0.66 PIM1 (0.66) CYP2D6CYP2C19CYP3A4KDM1ACHRM2
SCHEMBL30216959 0.66 PIM1 (0.66) CYP2D6CYP2C19CYP3A4KDM1ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014186623-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF A CHAGAS DISEASE BIOMED VALLEY DISCOVERIES (US) 2014-11-20 WO claimed
WO-2010080577-A2 OXEPINE MODULATORS OF H1 RECEPTORS AND/OR INHIBITORS OF MAST CELL DEGRANULATION AUSPEX PHARMACEUTICAL, INC. (US) 2010-07-15 WO claimed
WO-2010075090-A2 SCOPINE MODULATORS OF MUSCARINIC ACETYLCHOLINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-07-01 WO claimed
US-20100160272-A1 OXEPINE MODULATORS OF H1 RECEPTORS AND/OR INHIBITORS OF MAST CELL DEGRANULATION AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-24 US claimed
US-20100160271-A1 BICYCLIC MODULATORS OF H1 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-24 US claimed
US-20100160347-A1 PYRIDO[1,2-a]PYRIMIDIN-4-ONE INHIBITORS OF MAST CELL DEGRANULATION AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-24 US claimed
US-20100152224-A1 SCOPINE MODULATORS OF MUSCARINIC ACETYLCHOLINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US claimed
US-20100135956-A1 STEROID MODULATORS OF PROGESTERONE RECEPTOR AND/OR GLUCOCORTICOID RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-03 US claimed
US-20100137268-A1 PHTHALAZINONE MODULATORS OF H1 RECEPTORS AND/OR LTC4 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-03 US claimed
WO-2010054158-A2 STEROID MODULATORS OF GLUCOCORTICOID RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO claimed
US-20100120733-A1 STEROID MODULATORS OF GLUCOCORTICOID RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-13 US claimed
US-20100113431-A1 N-METHYL PIPERAZINE MODULATORS OF H1 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 US claimed
US-20100087455-A1 SUBSTITUTED XANTHINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2010-04-08 US claimed
EP-2170825-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2010-04-07 EP claimed
US-20090191183-A1 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-30 US claimed
WO-2009089234-A2 SUBSTITUTED DIBENZHYDRYLPIPERAZINES AUSPEX PHARMACEUTICALS (US) 2009-07-16 WO claimed
US-20090176792-A1 SUBSTITUTED DIBENZHYDRYLPIPERAZINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-09 US claimed
WO-2009018280-A2 SUBSTITUTED INDOLES AUSPEX PHARAMACEUTICALS, INC. (US) 2009-02-05 WO claimed
EP-4406605-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING AND PREVENTING ACUTE RESPIRATORY DISTRESS SYNDROME ASSOCIATED WITH VIRAL INFECTIONS HISTA RX LLC (US) 2026-02-04 EP disclosed
US-20020193371-A1 Drugs which can be used in the treatment of cancer MOLECULAR ENGINES LABORATORIES (FR) 2002-12-19 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 (11 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-20100152224-A1 SCOPINE MODULATORS OF MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM3, CHRM5, CHRM2 CYP2D6 1599/4885CYP2C19 1295/4885CYP3A4 904/4885
US-20100087455-A1 SUBSTITUTED XANTHINE COMPOUNDS XDH, HPRT1, SLC10A1 CYP2D6 111/4885CYP2C19 115/4885CYP3A4 78/4885
US-20100120733-A1 STEROID MODULATORS OF GLUCOCORTICOID RECEPTOR NR3C1, NR3C2, NR5A1 CYP2D6 891/4885CYP2C19 610/4885CYP3A4 446/4885
US-20100113431-A1 N-METHYL PIPERAZINE MODULATORS OF H1 RECEPTOR HRH4, HRH2, HRH3 CYP2D6 1599/4885CYP2C19 1394/4885CYP3A4 1629/4885
US-20100160272-A1 OXEPINE MODULATORS OF H1 RECEPTORS AND/OR INHIBITORS OF MAST CELL DEGRANULATION HRH4, HRH2, HRH3 CYP2D6 1668/4885CYP2C19 604/4885CYP3A4 1519/4885
US-20100160347-A1 PYRIDO[1,2-a]PYRIMIDIN-4-ONE INHIBITORS OF MAST CELL DEGRANULATION CMA1, CPA3, KIT CYP2D6 1770/4885CYP2C19 522/4885CYP3A4 1351/4885
US-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 CYP2D6 372/4885CYP2C19 142/4885CYP3A4 359/4885
US-20100137268-A1 PHTHALAZINONE MODULATORS OF H1 RECEPTORS AND/OR LTC4 RECEPTORS HRH4, HRH2, LTB4R CYP2D6 1682/4885CYP2C19 1134/4885CYP3A4 911/4885
US-20090176792-A1 SUBSTITUTED DIBENZHYDRYLPIPERAZINES HRH2, HRH4, HRH1 CYP2D6 618/4885CYP2C19 729/4885CYP3A4 745/4885
US-20100160271-A1 BICYCLIC MODULATORS OF H1 RECEPTORS HRH2, HRH4, HRH1 CYP2D6 703/4885CYP2C19 582/4885CYP3A4 662/4885
US-20100135956-A1 STEROID MODULATORS OF PROGESTERONE RECEPTOR AND/OR GLUCOCORTICOID RECEPTOR NR3C2, PGR, NR3C1 CYP2D6 573/4885CYP2C19 254/4885CYP3A4 298/4885

“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.