SCHEMBL5638327

SCHEMBL5638327

Cc1ccc(NC(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NAMPT P43490 3/20 0.43
▸ FPR2 P25090 4/20 0.42
▸ FPR1 P21462 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL5637298 0.82 F2 (0.42) KMT2AEPHX1
SCHEMBL14515770 0.82 F2 (0.42) KMT2AEPHX1
SCHEMBL5641720 0.81 F2 (0.42) KMT2AEPHX1
SCHEMBL5637393 0.81 GAA (0.44) MEN1KMT2AEPHX1TSHRPOLB
SCHEMBL5639542 0.80 GAA (0.46) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL5637559 0.80 BTK (0.44) MEN1KMT2AEPHX1TSHRPOLB
SCHEMBL14515757 0.80 GAA (0.46) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL5638007 0.79 GAA (0.44) KMT2AEPHX1
SCHEMBL5640189 0.79 GAA (0.44) KMT2AEPHX1
SCHEMBL5638864 0.79 NPC1 (0.49) NPC1RAB9ALMNANPSR1NAMPT

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-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 NPC1 449/4885RAB9A 794/4885LMNA 4340/4885

“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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