SCHEMBL3045076

SCHEMBL3045076

CC(C)c1nccn1CCNC(=O)C(O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PLK4 O00444 1/20 0.37
DAPK3 O43293 1/20 0.37
RPS6KA5 O75582 1/20 0.37
MAP4K4 O95819 1/20 0.37
ERBB2 P04626 1/20 0.37
PRKCG P05129 1/20 0.37
PIM1 P11309 1/20 0.37
PHKG2 P15735 1/20 0.37
CDK2 P24941 1/20 0.37
AXL P30530 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
PRKCI P41743 1/20 0.37
SYK P43405 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL3038898 0.94 SMN1; SMN2 (0.51) SMN1; SMN2CNR1CNR2LMNAHTT
SCHEMBL3044984 0.87 SMN1; SMN2 (0.45) SMN1; SMN2CNR1CNR2LMNAHTT
SCHEMBL3042542 0.86 NAMPT (0.49) CNR1CNR2PLK4DAPK3RPS6KA5
SCHEMBL3043408 0.79 CNR1 (0.48) CNR1CNR2NAMPTLMNAHTT
SCHEMBL3049212 0.78 CHRM2 (0.47)
SCHEMBL3038154 0.78 ADRA1D (0.46) SMN1; SMN2CNR1CNR2NAMPTRAB9A
SCHEMBL3050663 0.77 CHRM2 (0.46)
SCHEMBL3051273 0.75 POLB (0.54) SMN1; SMN2CNR1CNR2PLK4DAPK3
SCHEMBL3034630 0.75 SMN1; SMN2 (0.64) SMN1; SMN2FPR2
SCHEMBL3053643 0.73 CNR1 (0.42) CNR1CNR2GSK3BNAMPTLMNA

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 8 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
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 CN claimed
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
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 CN 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 (2 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 SMN1; SMN2 3982/4885CNR1 46/4885CNR2 68/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B SMN1; SMN2 2909/4885CNR1 608/4885CNR2 348/4885

“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.