SCHEMBL13413595

SCHEMBL13413595

CCN1C(=O)C[C@H](c2cc(Cl)cc(Cl)c2)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.43
▸ TP53 P04637 3/20 0.34
▸ MDM2 Q00987 3/20 0.34
▸ HSD17B2 P37059 2/20 0.33
▸ GRIA1 P42261 1/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ GRIA3 P42263 1/20 0.31
▸ GRIA4 P48058 1/20 0.31
▸ P2RX7 Q99572 8/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13547563 0.85 MDM2 (0.49) SIGMAR1TP53MDM2HSD17B2MEN1
SCHEMBL15744018 0.79 HSD17B2 (0.42) SIGMAR1MDM2HSD17B2
SCHEMBL13413307 0.77 SIGMAR1 (0.32) SIGMAR1HSD17B2
SCHEMBL13395242 0.75 SIGMAR1 (0.31) SIGMAR1HSD17B2
SCHEMBL13547532 0.75 MDM2 (0.40) SIGMAR1TP53MDM2HSD17B2P2RX7
SCHEMBL13413104 0.69 FADS1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL14214482 0.69 FADS1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL14214495 0.69 FADS1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL14214701 0.68 SIGMAR1 (0.43) SIGMAR1
SCHEMBL3370155 0.68 PER2 (0.38) SIGMAR1KMT2A

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-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 — — US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 — — 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-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP SIGMAR1 1721/4885TP53 3947/4885MDM2 4261/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP SIGMAR1 1721/4885TP53 3947/4885MDM2 4261/4885

“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.

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