SCHEMBL418754

SCHEMBL418754

CC(C)(C)N(C[C@]1(C#N)CC[C@@H](COCc2ccccc2)CC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 1/20 0.37
CNR2 P34972 1/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AGTR2 P50052 1/20 0.34
CHRM3 P20309 2/20 0.33
CTSS P25774 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
SCHEMBL419821 0.85 LMNA (0.34) CTSLCTSBCTSKDPP4MEN1
SCHEMBL420096 0.85 OPRM1 (0.46) CTSLCTSBCTSKDPP4NAAA
SCHEMBL420505 0.79 SPHK1 (0.39) CNR2MEN1HTTKMT2AL3MBTL1
SCHEMBL418753 0.72 CTSL (0.40) CTSLCTSBCTSKDPP4NAAA
SCHEMBL420095 0.72 CTSL (0.40) CTSLCTSBCTSKDPP4NAAA
SCHEMBL4028340 0.72 SLC6A2 (0.41) CNR2MEN1HTTKMT2AL3MBTL1
SCHEMBL4027422 0.72 SLC6A2 (0.41) CNR2MEN1HTTKMT2AL3MBTL1
SCHEMBL4027425 0.72 SLC6A2 (0.41) CNR2MEN1HTTKMT2AL3MBTL1
SCHEMBL5522000 0.70 LMNA (0.36) CTSLCTSBCTSKCNR2MEN1
SCHEMBL5521995 0.70 LMNA (0.36) CTSLCTSBCTSKCNR2MEN1

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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 CTSL 2286/4885CTSB 3474/4885CTSK 3955/4885

“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.