SCHEMBL7604493

SCHEMBL7604493

C[C@@H](NC(=O)C1CCCC([C@]2(C)CC(=O)N(C)C(=N)N2)C1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 4/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL8198706 0.82 MMP1 (0.39) RECQLALOX12LMNA
SCHEMBL12191340 0.82 MMP1 (0.39) RECQLALOX12LMNA
SCHEMBL7550278 0.82 MMP1 (0.39) RECQLALOX12LMNA
SCHEMBL7557080 0.79 ALDH1A1 (0.35) USP2ALDH1A1HPGDL3MBTL1LMNA
SCHEMBL7541895 0.76 ATM (0.40) ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL15038847 0.71 RECQL (1.00) RECQLUSP2ALOX15ALDH1A1SMN1; SMN2
SCHEMBL20663584 0.71 RECQL (1.00) RECQLUSP2ALOX15ALDH1A1SMN1; SMN2
SCHEMBL13081566 0.70 ALDH1A1 (0.40) RECQLALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL7605162 0.70 ALDH1A1 (0.40) RECQLALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL7602707 0.70 HTT (0.45) ALDH1A1SMN1; SMN2HPGDGAATP53

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 RECQL 648/4885USP2 1767/4885ALOX15 1116/4885

“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.