SCHEMBL2531820

SCHEMBL2531820

CCOC(=O)N(C)c1c[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL2538997 0.88 CHRNB2 (0.46) LMNATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL2538488 0.82 ALOX15 (0.38) LMNATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL2541069 0.82 KMT2A (0.37) TSHRALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL7020333 0.81 CHRNB2 (0.37) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2536109 0.80 LMNA (0.55) LMNATSHRCHRNB2CHRNB4CHRNA3
Benzene SCHEMBL1720409 0.80 CHRNB2 (0.59) LMNATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL442790 0.80 CHRNB2 (0.59) LMNATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL9346761 0.78 BRD4 (0.43) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2537140 0.78 NPSR1 (0.50) LMNATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL27545860 0.76 BRD4 (0.38) LMNACHRNB2CHRNB4CHRNA3CHRNA4

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 LMNA 3909/4885TSHR 226/4885CHRNB2 217/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 LMNA 3913/4885TSHR 223/4885CHRNB2 299/4885

“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.