SCHEMBL3080228

SCHEMBL3080228

COc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.63
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CYP2C19 P33261 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL3057651 0.88 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL3063748 0.87 CCR1 (0.63) CCR1CYP2C19KCNH2
SCHEMBL13362075 0.87 KMT2A (0.58) CCR1KMT2ATDP1
SCHEMBL3780578 0.85 CCR1 (0.61) CCR1CYP2C19KCNH2
SCHEMBL3772008 0.83 CCR1 (0.59) CCR1CYP2C19KCNH2
SCHEMBL14180542 0.82 L3MBTL1 (0.54) CCR1KMT2ATDP1CYP2C19
SCHEMBL12765632 0.82 CCR1 (0.65) CCR1CYP2C19KCNH2
SCHEMBL1639577 0.82 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL3773688 0.82 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL3767770 0.82 CCR1 (0.58) CCR1CYP2C19KCNH2

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 9 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

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 CCR1 1/4885KMT2A 4350/4885TDP1 3795/4885

“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.