SCHEMBL3538217

SCHEMBL3538217

CCC(CC)NC(=O)C1=CC2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
ATM Q13315 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
KDM1A O60341 1/20 0.40
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCD Q05655 1/20 0.38
PDK2 Q15119 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
IDO1 P14902 2/20 0.37

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
SCHEMBL12990573 0.91 L3MBTL1 (0.38) KDM4EACACBACACAALOX15PDK2
SCHEMBL3539357 0.91 ATM (0.47) KDM4EPKMATMGPR119KDM1A
SCHEMBL12990515 0.91 L3MBTL1 (0.46) KDM4EALOX15
SCHEMBL12991334 0.88 L3MBTL1 (0.40) ALOX15
SCHEMBL12990999 0.88 KMT2A (0.41) KDM4EACACBACACAOPRM1OGFRL1
SCHEMBL12990737 0.87 L3MBTL1 (0.35)
SCHEMBL12991059 0.86 ACACB (0.38) KDM4EACACBACACAPDK2OPRM1
SCHEMBL12990963 0.86 ACACB (0.37) ACACBACACA
SCHEMBL12991008 0.86 L3MBTL1 (0.38) ALOX15
SCHEMBL12991067 0.86 L3MBTL1 (0.38) GPR119TSHRALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US 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 (1 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-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 3396/4885PKM 2294/4885ACACB 1458/4885

“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.