SCHEMBL2773413

SCHEMBL2773413

O=C(Cl)/C=C/C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 6/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX2 P34913 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PADI4 Q9UM07 1/20 0.33

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
SCHEMBL2773414 1.00 NPC1 (0.36) NPC1SMN1; SMN2HTTGAAEPHX1
SCHEMBL38425 0.98 NPC1 (0.33) NPC1SMN1; SMN2HTTGAAEPHX1
SCHEMBL38426 0.98 NPC1 (0.33) NPC1SMN1; SMN2HTTGAAEPHX1
SCHEMBL8863188 0.87
SCHEMBL8863186 0.87
SCHEMBL8922950 0.86
SCHEMBL8922946 0.86
SCHEMBL13604822 0.85 NPC1 (0.33) NPC1SMN1; SMN2HTTGAAEPHX1
SCHEMBL13604823 0.83 NPC1 (0.32) NPC1SMN1; SMN2HTTGAAEPHX1
SCHEMBL761935 0.80 CES2 (0.38) NPC1SMN1; SMN2HTTGAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217060-B2 Benzimidazole derivatives useful as TRP M8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-07-10 US disclosed
WO-2010132247-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-11-18 US disclosed
US-7405201-B2 Antibacterial macrocycles BAYER HEALTHCARE AG (DE) 2008-07-29 US disclosed
US-7405201-B2 Antibacterial macrocycles BAYER HEALTHCARE AG (DE) 2008-07-29 US disclosed
US-7405201-B2 Antibacterial macrocycles BAYER HEALTHCARE AG (DE) 2008-07-29 US disclosed
EP-1430075-B1 ANTIBACTERIAL MACROCYCLES BAYER HEALTHCARE AG (DE) 2007-01-03 EP disclosed
EP-1430075-B1 ANTIBACTERIAL MACROCYCLES BAYER HEALTHCARE AG (DE) 2007-01-03 EP disclosed
US-20050107288-A1 Antibacterial macrocycles BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-05-19 US disclosed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
EP-0577847-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 1998-10-14 EP disclosed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed
EP-0846694-A1 Morphinan derivative and its pharmaceutical applications TORAY INDUSTRIES, INC. (JP) 1998-06-10 EP disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP disclosed
EP-0661283-A1 BRAIN CELL PROTECTIVE TORAY INDUSTRIES, INC. (JP) 1995-07-05 EP disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 EP disclosed
EP-0170524-B1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 EP disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed
US-4419356-A 2,3,6,7-Tetrahydrothiazolo[3,2-a]pyrimidine derivatives having anti-rheumatic properties and pharmaceutical compositions containing them RHONE-POULENC INDUSTRIES (FR) 1983-12-06 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-20050107288-A1 Antibacterial macrocycles MRPL21, RPS17, CFTR NPC1 522/4885SMN1; SMN2 1676/4885HTT 1201/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 NPC1 3021/4885SMN1; SMN2 3467/4885HTT 2978/4885
US-20100292276-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 NPC1 3695/4885SMN1; SMN2 2716/4885HTT 2964/4885

“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.