SCHEMBL3525622

SCHEMBL3525622

CCOc1cccc(C2(CC#N)CCN(C(=O)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
TET3 O43151 2/20 0.43
FBXL19 Q6PCT2 2/20 0.43
CXXC5 Q7LFL8 2/20 0.43
TET1 Q8NFU7 2/20 0.43
KDM2B Q8NHM5 2/20 0.43
CXXC4 Q9H2H0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPY1R P25929 3/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 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
SCHEMBL3526611 0.89 ALDH1A1 (0.48) KMT2AALDH1A1SOAT1
SCHEMBL3528807 0.86 KMT2A (0.46) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3531219 0.83 KMT2A (0.56) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL27621249 0.82 KMT2A (0.42) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL6153606 0.79 CNR2 (0.40) HSD17B10ALDH1A1
SCHEMBL3525986 0.78 KMT2A (0.48) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3530188 0.75 JAK2 (0.47) KMT2AALDH1A1MEN1ATM
SCHEMBL5469239 0.75 KMT2A (0.48) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL5469243 0.75 KMT2A (0.48) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL5469237 0.75 KMT2A (0.48) KMT2ATET3FBXL19CXXC5TET1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 KMT2A 4565/4885TET3 4245/4885FBXL19 4241/4885

“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.