SCHEMBL3073115

SCHEMBL3073115

COc1cc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HTT P42858 1/20 0.60
CCR1 P32246 11/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CDYL Q9Y232 2/20 0.52
CDY1; CDY1B Q9Y6F8 2/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
CBX7 O95931 1/20 0.51
CDYL2 Q8N8U2 1/20 0.51

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
SCHEMBL3076768 0.90 MEN1 (0.63) ALDH1A1CCR1MEN1KMT2ALMNA
SCHEMBL3066554 0.90 CCR1 (0.55) ALDH1A1CCR1MEN1KMT2ALMNA
SCHEMBL3076604 0.90 MEN1 (0.57) CCR1MEN1KMT2A
SCHEMBL3076494 0.89 CCR1 (0.54) ALDH1A1CCR1MEN1KMT2ACDYL
SCHEMBL13140386 0.89 CCR1 (0.56) ALDH1A1CCR1MEN1KMT2ALMNA
SCHEMBL3057788 0.88 CCR1 (0.53) ALDH1A1CCR1MEN1KMT2ALMNA
SCHEMBL3068563 0.86 CCR1 (0.55) ALDH1A1CCR1MEN1KMT2ALMNA
SCHEMBL3071059 0.84 MEN1 (0.49) ALDH1A1CCR1MEN1KMT2ALMNA
SCHEMBL3076466 0.84 MEN1 (0.49) ALDH1A1CCR1MEN1KMT2AKDM4E
SCHEMBL3080788 0.84 CCR1 (0.49) ALDH1A1CCR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
EP-1931348-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-06-18 EP disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 ALDH1A1 1533/4885HTT 4113/4885CCR1 1/4885

“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.