SCHEMBL3055301

SCHEMBL3055301

O=C(NCCc1c[nH]cn1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
CNR2 P34972 3/20 0.50
HTT P42858 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL3047213 0.81 KEAP1 (0.47)
SCHEMBL1300262 0.78 MAPT (0.52) LMNASMN1; SMN2POLBRAB9AKMT2A
SCHEMBL14209009 0.77 ALDH1A1 (0.43) SMN1; SMN2POLBRAB9AALDH1A1KMT2A
SCHEMBL26220451 0.77 ALDH1A1 (0.35) HTTL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL27938884 0.77 ALDH1A1 (0.43) HTTL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL24307196 0.77 POLB (0.33) HTTL3MBTL1SMN1; SMN2POLBRAB9A
SCHEMBL13734799 0.77 MAPT (0.33) HTTL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10690539 0.75 CNR1 (0.62) CNR1CNR2HTTL3MBTL1LMNA
SCHEMBL8068548 0.75 ALDH1A1 (0.33) HTTL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL7619473 0.75 MMP8 (0.39) L3MBTL1SMN1; SMN2POLBRAB9AKMT2A

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 CNR1 46/4885CNR2 68/4885HTT 2126/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CNR1 608/4885CNR2 348/4885HTT 4847/4885

“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.