SCHEMBL2542579

SCHEMBL2542579

CC(C)NC(=O)C1C[CH]CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
ACACB O00763 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
SCHEMBL2535597 0.85 CHRNB2 (0.48) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL172134 0.78
SCHEMBL10076786 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL2533327 0.77
SCHEMBL1703385 0.76 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL12375164 0.76 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL24997802 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL18935499 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL24997854 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL104815 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4

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-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
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN 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 SMN1; SMN2 3569/4885MEN1 1981/4885KMT2A 423/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 SMN1; SMN2 3448/4885MEN1 1602/4885KMT2A 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.