SCHEMBL3044984

SCHEMBL3044984

CC(C)c1nccn1CCNC(=O)C(O)(c1ccccc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 2/20 0.34
MTNR1A P48039 1/20 0.34

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 0.93 SMN1; SMN2 (0.51) SMN1; SMN2CNR1CNR2MEN1KMT2A
SCHEMBL3045076 0.87 SMN1; SMN2 (0.46) SMN1; SMN2CNR1CNR2KMT2ALMNA
SCHEMBL3053643 0.87 CNR1 (0.42) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL3043408 0.78 CNR1 (0.48) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL3049212 0.77 CHRM2 (0.47)
SCHEMBL3041386 0.77 CYP11B1 (0.46) SMN1; SMN2CNR1CNR2ALDH1A1MEN1
SCHEMBL3050663 0.77 CHRM2 (0.46)
SCHEMBL3038154 0.75 ADRA1D (0.46) SMN1; SMN2CNR1CNR2ALDH1A1MEN1
SCHEMBL3034630 0.74 SMN1; SMN2 (0.64) SMN1; SMN2MTNR1A
SCHEMBL3042542 0.73 NAMPT (0.49) CNR1CNR2ALDH1A1LMNAHTT

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.