SCHEMBL10205809

SCHEMBL10205809

CC(C)C(=O)CNC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.49
HDAC4 P56524 2/20 0.47
CTSL P07711 2/20 0.47
TSHR P16473 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
GLS O94925 1/20 0.44
CHRM2 P08172 1/20 0.43
HSD11B1 P28845 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL12378818 0.83 SMN1; SMN2 (0.56) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL2722768 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL19531832 0.76 ALDH1A1 (0.79) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9829124 0.75 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL3867684 0.75 SMN1; SMN2 (0.55) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL8572144 0.73 HDAC4 (0.59) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL888702 0.73 AKR1C1 (0.52) LMNAALDH1A1PKMHDAC4OPRM1
SCHEMBL24571816 0.73 ALDH1A1 (0.61) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9830132 0.73 ALDH1A1 (0.61) SMN1; SMN2HTTLMNAALDH1A1PKM
SCHEMBL9830124 0.73 ALDH1A1 (0.61) SMN1; SMN2HTTLMNAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 SMN1; SMN2 2141/4885HTT 3140/4885LMNA 3558/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 SMN1; SMN2 2141/4885HTT 3140/4885LMNA 3558/4885

“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.