SCHEMBL3076604

SCHEMBL3076604

COc1cc(N2CCN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)CC2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CCR1 P32246 16/20 0.55
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50

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 0.93 MEN1 (0.63) MEN1KMT2ACCR1CYP2C19KCNH2
SCHEMBL3073115 0.90 ALDH1A1 (0.60) MEN1KMT2ACCR1
SCHEMBL3066554 0.87 CCR1 (0.55) MEN1KMT2ACCR1CYP2C19KCNH2
SCHEMBL3076494 0.86 CCR1 (0.54) MEN1KMT2ACCR1CYP2C19KCNH2
SCHEMBL13140386 0.86 CCR1 (0.56) MEN1KMT2ACCR1CYP2C19KCNH2
SCHEMBL3057788 0.85 CCR1 (0.53) MEN1KMT2ACCR1CYP2C19KCNH2
SCHEMBL3068563 0.83 CCR1 (0.55) MEN1KMT2ACCR1CYP2C19KCNH2
SCHEMBL3070782 0.82 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL3068714 0.82 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL3071059 0.82 MEN1 (0.49) MEN1KMT2ACCR1CYP2C19KCNH2

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 MEN1 3626/4885KMT2A 4350/4885CCR1 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.