SCHEMBL503022

SCHEMBL503022

CC(C)(C)OC(=O)N1CCC(c2ccc(NC(=O)Nc3ccc(Cl)cn3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NAMPT P43490 1/20 0.50
TP53 P04637 5/20 0.48
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.48
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
LMNA P02545 3/20 0.47
KMT2A Q03164 1/20 0.47
NR3C1 P04150 2/20 0.47
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
WNT3A P56704 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL503023 1.00 RAB9A (0.50) RAB9ASMN1; SMN2L3MBTL1NAMPTTP53
SCHEMBL503191 0.88 MAPT (0.54) RAB9ASMN1; SMN2NAMPTTP53MAPT
SCHEMBL503192 0.88 MAPT (0.54) RAB9ASMN1; SMN2NAMPTTP53MAPT
SCHEMBL1990217 0.83 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2L3MBTL1NAMPTTP53
SCHEMBL1990216 0.83 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2L3MBTL1NAMPTTP53
SCHEMBL23727569 0.82 NAMPT (0.52) RAB9ASMN1; SMN2NAMPTTP53MAPT
SCHEMBL26100612 0.82 NAMPT (0.52) RAB9ASMN1; SMN2NAMPTTP53MAPT
SCHEMBL1989165 0.82 NAMPT (0.65) RAB9ASMN1; SMN2NAMPTTP53MAPT
SCHEMBL1989164 0.82 NAMPT (0.65) RAB9ASMN1; SMN2NAMPTTP53MAPT
SCHEMBL22988918 0.81 PDE4B (0.58) RAB9ASMN1; SMN2NAMPTTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R RAB9A 1829/4885SMN1; SMN2 3484/4885L3MBTL1 4223/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R RAB9A 1829/4885SMN1; SMN2 3484/4885L3MBTL1 4223/4885

“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.