SCHEMBL3536233

SCHEMBL3536233

CC(=Cc1ccccc1)CNCC[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
OPRD1 P41143 1/20 0.42
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
HCRTR2 O43614 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ATM Q13315 2/20 0.38
PRMT5 O14744 1/20 0.38
RIPK1 Q13546 1/20 0.38
KLK7 P49862 1/20 0.38
ACKR3 P25106 2/20 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
SCHEMBL13316290 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL13543104 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL13316284 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL13316325 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL3539982 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL3539984 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL3595874 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL3541890 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL3539004 0.80 APP (0.44) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL3539005 0.80 APP (0.44) ALDH1A1MEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
EP-1606251-B1 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX INC (US) 2009-04-08 EP disclosed
EP-1606251-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR ChemoCentryx Inc (US) 2005-12-21 EP disclosed
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CHEMOCENTRYX, INC. 2004-09-02 US disclosed
WO-2004058705-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX (US) 2004-07-15 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 (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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 ALDH1A1 910/4885MEN1 4060/4885KMT2A 3167/4885
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CCL2, CCR2, CXCR2 ALDH1A1 910/4885MEN1 4060/4885KMT2A 3167/4885

“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.