SCHEMBL3076458

SCHEMBL3076458

COc1cc(N2CCN(C(=O)Cn3cccc4oc(=O)nc3-4)CC2)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.42
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3063084 0.85 CCR1 (0.57) CCR1CYP2C19KCNH2
SCHEMBL3071170 0.73 MEN1 (0.47) CCR1CYP2C19KCNH2MAPTLMNA
SCHEMBL3464848 0.73 CCR1 (0.51) CCR1CYP2C19KCNH2
SCHEMBL3078169 0.73 KDM4E (0.46) CCR1POLBLMNAHSD17B10TP53
SCHEMBL3077691 0.72 KMT2A (0.61) POLBMAPTLMNATP53ALDH1A1
SCHEMBL3465395 0.72 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL1639716 0.72 CCR1 (0.50) CCR1CYP2C19KCNH2TP53
SCHEMBL13163166 0.72 CCR1 (0.72) CCR1CYP2C19KCNH2
SCHEMBL3464152 0.72 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL1637613 0.71 CCR1 (0.49) CCR1CYP2C19KCNH2LMNAHSD17B10

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-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
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 CCR1 1/4885CYP2C19 3080/4885KCNH2 4669/4885

“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.