SCHEMBL6163688

SCHEMBL6163688

OCCCNCc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.71
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
THRB P10828 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MCHR1 Q99705 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL7014134 0.88 CHRM2 (0.57) CHRM2LMNASMN1; SMN2KDM4EMEN1
SCHEMBL2263025 0.88 CHRM2 (0.64) CHRM2LMNASMN1; SMN2KDM4EMEN1
SCHEMBL11672256 0.87 CHRM2 (0.83) CHRM2LMNASMN1; SMN2KDM4ETHRB
Hydrochloric Acid SCHEMBL3668846 0.87 MEN1 (0.65) CHRM2LMNASMN1; SMN2KDM4EMEN1
SCHEMBL19434652 0.87 CHRM2 (0.91) CHRM2LMNASMN1; SMN2KDM4ETHRB
Hydrochloric Acid SCHEMBL948529 0.86 CHRM2 (0.62) CHRM2LMNASMN1; SMN2KDM4EMEN1
SCHEMBL11094422 0.83 CHRM2 (0.75) CHRM2LMNASMN1; SMN2KDM4EMEN1
SCHEMBL7375178 0.82 L3MBTL1 (0.60) CHRM2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4424650 0.82 MCHR1 (0.67) CHRM2LMNASMN1; SMN2KDM4EMEN1
SCHEMBL30512338 0.81 MAOA (0.61) CHRM2LMNASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO disclosed
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-29 US disclosed
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-29 US disclosed
WO-2010062265-A1 THERAPEUTIC MACROLIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 WO disclosed
EP-0920423-B1 DISUBSTITUTED MORPHOLINE, OXAZEPINE OR THIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE D4 RECEPTOR ANTAGONISTS NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
US-6479491-B1 USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA NEUROSEARCH A/S (DK) 2002-11-12 US disclosed
US-6207662-B1 USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA NEUROSEARCH A/S (DK) 2001-03-27 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CHRM2 3437/4885LMNA 3072/4885SMN1; SMN2 3302/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CHRM2 3437/4885LMNA 3072/4885SMN1; SMN2 3302/4885
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MALT1, HDAC6, BCL6 CHRM2 4810/4885LMNA 1118/4885SMN1; SMN2 2606/4885

“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.