SCHEMBL6419381

SCHEMBL6419381

CCC(C(=O)NC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRK1 P41145 3/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL166707 0.77 KMT2A (0.63) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL13915687 0.77 KMT2A (0.63) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL3590498 0.74 USP2 (0.65) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6859536 0.74 CCR5 (0.48)
SCHEMBL3595934 0.73 KMT2A (0.78) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL16250460 0.73 KMT2A (0.78) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL3595931 0.73 KMT2A (0.78) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL15249477 0.73 KMT2A (0.78) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL1886766 0.73 KMT2A (0.78) USP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4274767 0.73 L3MBTL1 (0.68) USP2L3MBTL1KMT2AMEN1ALDH1A1

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-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-08-04 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-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) CCR5, CXCR1, CCR7 USP2 4480/4885L3MBTL1 3613/4885KMT2A 1493/4885

“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.