SCHEMBL3035304

SCHEMBL3035304

COc1ccc(C(O)(C(=O)Cn2ccnc2C)C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.45
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL4886224 0.87 KEAP1 (0.50) CHRM3CHRM2CHRM1
SCHEMBL3044724 0.87 CHRM3 (0.44) CHRM3POLBMEN1KMT2ACYP19A1
SCHEMBL3049247 0.86 KEAP1 (0.49) CHRM3POLBCHRM2CHRM1
SCHEMBL3051073 0.80 CYP19A1 (0.48) CHRM3KDM4EMEN1KMT2ACYP19A1
SCHEMBL3044199 0.77 CHRM3 (0.47) CHRM3KDM4EMEN1KMT2ACYP19A1
SCHEMBL4887400 0.73 KEAP1 (0.47) CHRM3CHRM2CHRM1
SCHEMBL3042545 0.72 KEAP1 (0.46) CHRM3POLBCHRM2CHRM1
SCHEMBL4076899 0.72 KEAP1 (0.66) CHRM3POLBMEN1KMT2ACYP19A1
SCHEMBL3038931 0.72 CHRM2 (0.46) CHRM3KMT2ACHRM2CHRM1
SCHEMBL3042280 0.72 ALDH1A1 (0.58) CHRM3POLBMEN1KMT2ACHRM2

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 12 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
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP claimed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO claimed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US 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 1/4885POLB 3807/4885KDM4E 4123/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 CHRM3 1496/4885POLB 1999/4885KDM4E 3001/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM3 88/4885POLB 1328/4885KDM4E 1748/4885

“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.