SCHEMBL3038154

SCHEMBL3038154

Cc1ccc(C(O)(C(=O)NCCn2ccnc2C)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3043408 0.95 CNR1 (0.48) ADRA1DADRA1AADRA1BCNR1CNR2
SCHEMBL3042542 0.91 NAMPT (0.49) ADRA1DADRA1AADRA1BCNR1CNR2
SCHEMBL3053643 0.88 CNR1 (0.42) GAACNR1CNR2ALDH1A1HTT
SCHEMBL3050558 0.82 NAMPT (0.42) ALDH1A1SMN1; SMN2HTTNPSR1KDM4E
SCHEMBL3038898 0.81 SMN1; SMN2 (0.51) CNR1CNR2SMN1; SMN2HTTKMT2A
SCHEMBL3038931 0.78 CHRM2 (0.46) KMT2A
SCHEMBL3049246 0.78 CHRM2 (0.49)
SCHEMBL3047740 0.78 CHRM2 (0.47)
SCHEMBL3043382 0.78 CHRM2 (0.49)
SCHEMBL3047648 0.78 CHRM2 (0.45)

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 ADRA1D 86/4885ADRA1A 89/4885ADRA1B 88/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B ADRA1D 33/4885ADRA1A 36/4885ADRA1B 26/4885

“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.