SCHEMBL6443538

SCHEMBL6443538

CCN1C(=O)C(NC(=O)CC2CCCC2)CC(C)(C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.38
OPRM1 P35372 4/20 0.38
OPRK1 P41145 2/20 0.38
EPHX2 P34913 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35

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
SCHEMBL4992371 0.80 SIGMAR1 (0.41) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL14169831 0.78 MEN1 (0.40) TRPV1L3MBTL1CNR1GPR55SMN1; SMN2
SCHEMBL4985769 0.71 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4985948 0.71 ALDH1A1 (0.41) L3MBTL1CNR1GPR55SMN1; SMN2ALDH1A1
SCHEMBL2060654 0.69 USP2 (0.34) TSHRALDH1A1GAA
SCHEMBL2061423 0.69 ALDH1A1 (0.41) TRPV1TSHRALDH1A1GAARIPK1
SCHEMBL2061450 0.67 KMT2A (0.41) RAB9AALDH1A1
SCHEMBL31231454 0.67 TRPV1 (0.47) EPHX2TRPV1TSHRALDH1A1CNR2
SCHEMBL2061032 0.67 HTT (0.39) EPHX2TSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL2062207 0.66 CYP19A1 (0.34) TSHRALDH1A1GAA

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-20050272666-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING 2005-12-08 US disclosed
US-20050182046-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2005-08-18 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 (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-20050272666-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 OPRL1 2187/4885OPRM1 4304/4885OPRK1 4129/4885
US-20050182046-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 OPRL1 2187/4885OPRM1 4304/4885OPRK1 4129/4885

“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.