SCHEMBL6648762

SCHEMBL6648762

CC(=O)NCCN1CCc2cc(NC(=O)c3ccc(C)cc3OC(C)C)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.45
▸ ABCB1 P08183 6/20 0.42
▸ ABCG2 Q9UNQ0 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41

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
SCHEMBL6647009 0.80 PLAU (0.44) SIGMAR1DRD2DRD3ABCB1ABCG2
SCHEMBL20909873 0.80 SIGMAR1 (0.58) SIGMAR1DRD2DRD3TMEM97USP2
SCHEMBL6649528 0.77 MEN1 (0.48) SIGMAR1ABCB1ABCG2USP2TAAR1
SCHEMBL6492509 0.77 PLAU (0.47) SIGMAR1DRD2DRD3TMEM97USP2
SCHEMBL6649201 0.77 ESR2 (0.52) —
SCHEMBL6645986 0.76 SMN1; SMN2 (0.65) POLB
SCHEMBL22549230 0.75 SIGMAR1 (0.58) SIGMAR1DRD2DRD3TMEM97USP2
SCHEMBL6645761 0.75 MAPT (0.50) DRD2POLBHSD17B10ALDH1A1
SCHEMBL6645494 0.74 NOD1 (0.39) ABCB1ABCG2USP2TAAR1PLAU
SCHEMBL6645872 0.73 MELK (0.48) PLAUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 — — 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR SIGMAR1 508/4885DRD2 2035/4885DRD3 1618/4885

“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.

Send feedback