SCHEMBL2537140

SCHEMBL2537140

CC(C)OC(=O)N(C)c1c[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2538488 0.82 ALOX15 (0.38) NPSR1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL2536746 0.80 NPSR1 (0.55) NPSR1LMNAHTTCHRNB2CHRNB4
SCHEMBL3507290 0.80 LMNA (0.58) NPSR1LMNAHTTCHRNB2CHRNB4
SCHEMBL2531820 0.78 LMNA (0.50) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9346761 0.78 BRD4 (0.43) NPSR1LMNAHTTCHRNB2CHRNB4
SCHEMBL2235493 0.76 SMN1; SMN2 (0.42) HTTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL27710866 0.76 KMT2A (0.36) NPSR1LMNAHTTCA12CA1
SCHEMBL2538997 0.76 CHRNB2 (0.46) NPSR1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL746118 0.75 PLAU (0.33) KMT2ANR1H3
SCHEMBL7020333 0.73 CHRNB2 (0.37) NPSR1LMNAHTTCHRNB2CHRNB4

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
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 NPSR1 22/4885LMNA 3909/4885HTT 799/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 NPSR1 19/4885LMNA 3913/4885HTT 610/4885

“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.