SCHEMBL4479385

SCHEMBL4479385

CN1CCN(c2ccc(CNC(=O)OC(C)(C)C)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
DRD2 P14416 4/20 0.47
NAMPT P43490 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP7 Q93009 1/20 0.44
WDR5 P61964 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 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
SCHEMBL10232975 0.85 NAMPT (0.44) DRD2NAMPTKMT2AWDR5
SCHEMBL4487502 0.83 KMT2A (0.58) DRD2NAMPTKMT2ASMN1; SMN2GAA
SCHEMBL1829911 0.82 TSHR (0.59) TSHRNAMPTSMN1; SMN2GAA
SCHEMBL38654966 0.80 DDB1 (0.54) TSHRNAMPTSMN1; SMN2USP7GAA
SCHEMBL994653 0.79 NPC1 (0.58) NPC1RAB9AKMT2AMITFSMN1; SMN2
SCHEMBL1828113 0.77 TSHR (0.56) TSHRNAMPTKMT2ASMN1; SMN2GAA
SCHEMBL508353 0.77 TSHR (0.56) TSHRNAMPTSMN1; SMN2GAA
SCHEMBL964473 0.77 TSHR (0.56) TSHRNAMPTSMN1; SMN2GAA
SCHEMBL29726432 0.77 TSHR (0.56) TSHRNAMPTSMN1; SMN2GAA
SCHEMBL27403101 0.76 DYRK1A (0.47) NAMPTNPC1RAB9ASMN1; SMN2

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-7601751-B2 Indole acetic acid acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 TSHR 2547/4885DRD2 1031/4885NAMPT 2551/4885

“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.