SCHEMBL1109855

SCHEMBL1109855

OC(c1ccccc1)(c1ncc(CBr)o1)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
HRH1 P35367 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
SCN1A P35498 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CHRM3 P20309 12/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 11/20 0.38
CHRM1 P11229 11/20 0.38
CHRM4 P08173 10/20 0.38
CHRM5 P08912 10/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL3215163 1.00 CYP2D6 (0.40) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL3216281 0.99 CHRM3 (0.41) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL1109824 0.99 CHRM3 (0.41) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL3206180 0.99 CHRM3 (0.41) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL3214438 0.99 CHRM3 (0.41) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL3211453 0.97 CYP2D6 (0.40) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL28782458 0.90 HRH1 (0.38) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL28785218 0.90 HRH1 (0.38) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL27774376 0.89 CHRM3 (0.40) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL27795281 0.89 CHRM3 (0.40) CYP2D6HRH1MEN1LMNASCN1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors ARGENTA DISCOVERY LIMITED (GB) 2010-03-04 US disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 CYP2D6 550/4885HRH1 178/4885MEN1 2705/4885
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors CHRM2, CHRM3, CHRM1 CYP2D6 616/4885HRH1 109/4885MEN1 2177/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CYP2D6 571/4885HRH1 183/4885MEN1 2442/4885

“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.