SCHEMBL3854914

SCHEMBL3854914

CC(C)Oc1cccc([C@@H]2C[CH]NC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLK1 P06870 1/20 0.41
HTR2C P28335 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
WDR5 P61964 1/20 0.34
ACHE P22303 1/20 0.34
ACACB O00763 2/20 0.34
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33

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
SCHEMBL10401412 0.77 HTR2C (0.57) HTR2CHTR6DRD2
SCHEMBL14999424 0.76 HTR2C (0.69) PLGPLAUPLATKLK1HTR2C
SCHEMBL1364503 0.73 HTR2C (0.45) PLGPLAUPLATKLK1HTR2C
SCHEMBL6654964 0.71 DRD2 (0.58) ACHEDRD2
SCHEMBL2265526 0.69 SLC18A3 (0.45) SMN1; SMN2TSHRGAAKMT2A
SCHEMBL2968363 0.69 RXRA (0.53) TP53SMN1; SMN2MEN1GAAHTT
SCHEMBL7755251 0.69 PLG (0.39) PLGPLAUPLATKLK1HTR2C
SCHEMBL14382847 0.66 PLG (0.47) PLGPLAUPLATKLK1HTR2C
SCHEMBL31483449 0.65 SIRT1 (0.54) PLGPLAUPLATKLK1TP53
SCHEMBL2737262 0.64 KDM4E (0.49) TP53SMN1; SMN2TSHRMEN1GAA

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-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 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-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 PLG 1470/4885PLAU 2587/4885PLAT 3184/4885

“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.