SCHEMBL3038898

SCHEMBL3038898

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3045076 0.94 SMN1; SMN2 (0.46) SMN1; SMN2CNR1CNR2LMNAHTT
SCHEMBL3044984 0.93 SMN1; SMN2 (0.45) SMN1; SMN2CNR1CNR2LMNAHTT
SCHEMBL3043408 0.84 CNR1 (0.48) CNR1CNR2LMNAHTTL3MBTL1
SCHEMBL3049212 0.83 CHRM2 (0.47)
SCHEMBL3050663 0.82 CHRM2 (0.46)
SCHEMBL3038154 0.81 ADRA1D (0.46) SMN1; SMN2CNR1CNR2LMNAHTT
SCHEMBL3034630 0.80 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19
SCHEMBL3042542 0.79 NAMPT (0.49) CNR1CNR2LMNAHTTL3MBTL1
SCHEMBL3053643 0.78 CNR1 (0.42) CNR1CNR2LMNAHTTL3MBTL1
SCHEMBL10363606 0.76 SMN1; SMN2 (0.58) SMN1; SMN2HTTKMT2AMEN1CYP1A2

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 6 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-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

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.