SCHEMBL1063164

SCHEMBL1063164

COc1cccc([N+](=O)[O-])c1N1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
MET P08581 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SUV39H2 Q9H5I1 1/20 0.41
GPR174 Q9BXC1 1/20 0.41

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
SCHEMBL2977592 0.87 ALDH1A1 (0.63) MAPTALDH1A1LMNAMETMEN1
SCHEMBL2973720 0.81 ALDH1A1 (0.73) MAPTALDH1A1LMNAMETMEN1
SCHEMBL20140223 0.81 ALDH1A1 (0.57) MAPTALDH1A1LMNAMETMEN1
SCHEMBL2969622 0.81 ALDH1A1 (0.54) MAPTALDH1A1LMNAMETMEN1
SCHEMBL31220479 0.81 ALDH1A1 (0.56) MAPTALDH1A1LMNAMETMEN1
SCHEMBL25289790 0.80 ALDH1A1 (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30481715 0.79 MAPT (0.57) MAPTALDH1A1LMNAMETMEN1
SCHEMBL24130446 0.79 MAPT (0.57) MAPTALDH1A1LMNAMETMEN1
SCHEMBL309785 0.79 MAPT (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL246048 0.79 TSHR (0.58) ALDH1A1LMNAMEN1KMT2ACKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
US-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 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 (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-20110014121-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 MAPT 4678/4885ALDH1A1 1777/4885LMNA 4842/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 MAPT 4678/4885ALDH1A1 1777/4885LMNA 4842/4885

“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.