SCHEMBL3044199

SCHEMBL3044199

COc1ccc(C(O)(C(=O)CN2CCN=C2C)C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP19A1 P11511 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC29A1 Q99808 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A11 P48066 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4879774 0.87 KEAP1 (0.50) CHRM3CHRM2CHRM1HRH1KCNH2
SCHEMBL3042269 0.86 CHRM2 (0.51) CHRM3CHRM2CHRM1HRH1KCNH2
SCHEMBL3035304 0.77 CHRM3 (0.45) CHRM3MEN1KMT2ACYP19A1CHRM2
SCHEMBL3051073 0.75 CYP19A1 (0.48) CHRM3MEN1KMT2ACYP19A1CYP3A4
SCHEMBL4076899 0.72 KEAP1 (0.66) CHRM3MEN1KMT2ACYP19A1CHRM2
SCHEMBL3044724 0.72 CHRM3 (0.44) CHRM3MEN1KMT2ACYP19A1CHRM2
SCHEMBL2763036 0.71 KEAP1 (0.64) CHRM3MEN1KMT2ACYP19A1CHRM2
SCHEMBL19149979 0.66 CYP19A1 (0.56) CHRM3MEN1KMT2ACYP19A1LMNA
SCHEMBL19124196 0.66 CYP19A1 (0.56) CHRM3MEN1KMT2ACYP19A1LMNA
SCHEMBL3047247 0.65 CYP19A1 (0.44) CHRM3MEN1KMT2ACYP19A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP disclosed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM3 1/4885MEN1 3801/4885KMT2A 3010/4885
US-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 CHRM3 100/4885MEN1 3431/4885KMT2A 513/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM3 88/4885MEN1 1706/4885KMT2A 1971/4885

“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.