SCHEMBL12086366

SCHEMBL12086366

CCN(C(=O)Oc1ccc(F)cc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
FAAH O00519 2/20 0.40
BCHE P06276 3/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RIPK1 Q13546 2/20 0.38
SRD5A1 P18405 1/20 0.37
BRD4 O60885 1/20 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
SCHEMBL27774480 0.85 MEN1 (0.53) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL27578920 0.84 MEN1 (0.51) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL2493638 0.84 MEN1 (0.51) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL27766267 0.83 KMT2A (0.50) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL6189602 0.80 KMT2A (0.47) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL12084861 0.80 RAB9A (0.48) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL12928357 0.80 MEN1 (0.81) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL27969685 0.79 GAA (0.61) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL15343541 0.78 MEN1 (0.56) KMT2AMEN1RAB9AFAAHBCHE
SCHEMBL28868300 0.77 MEN1 (0.44) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 US disclosed
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 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 (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-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 KMT2A 1874/4885MEN1 2541/4885RAB9A 2617/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 KMT2A 2362/4885MEN1 2672/4885RAB9A 1944/4885

“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.