SCHEMBL2539833

SCHEMBL2539833

NC(=O)C1CC[CH]CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
NOS2 P35228 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL2539204 0.95 KDM4E (0.45) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2535841 0.93 KMT2A (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL1385858 0.91
Hydrochloric Acid SCHEMBL27755494 0.88 SMN1; SMN2 (0.40) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2541559 0.86
SCHEMBL21546125 0.82 MAPT (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2537996 0.80 KMT2A (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL5229468 0.79 TSHR (0.41) KDM4ESMN1; SMN2CES2CES1CYP2C19
SCHEMBL2534890 0.78 CES2 (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL262182 0.78

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 KDM4E 1047/4885MAPT 3841/4885KMT2A 423/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 KDM4E 1384/4885MAPT 4280/4885KMT2A 552/4885

“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.