SCHEMBL12765632

SCHEMBL12765632

CCC(=O)N1CCN(c2ccc(Cl)c(OC)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.65
RAB9A P51151 1/20 0.60
CYP2C19 P33261 1/20 0.59
KCNH2 Q12809 1/20 0.59
ALK Q9UM73 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
SCHEMBL1639577 0.90 CCR1 (0.69) CCR1RAB9ACYP2C19KCNH2
SCHEMBL13184089 0.88 CCR1 (0.61) CCR1RAB9AALK
SCHEMBL14724221 0.86 CCR1 (0.62) CCR1RAB9ACYP2C19KCNH2
SCHEMBL1911996 0.85 KMT2A (0.56) CCR1RAB9AALK
SCHEMBL19002647 0.85 ACHE (0.52) CCR1RAB9AALK
SCHEMBL22892278 0.85 ADAMTS5 (0.53) CCR1ALK
SCHEMBL3631830 0.85 CCR1 (0.60) CCR1RAB9ACYP2C19KCNH2
SCHEMBL2876804 0.85 CCR1 (0.60) CCR1ALK
SCHEMBL3063748 0.85 CCR1 (0.63) CCR1CYP2C19KCNH2
SCHEMBL13229291 0.84 ALK (0.50) CCR1RAB9AALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468955-B1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-01-06 EP disclosed
EP-1906965-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2015-05-06 EP disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 US disclosed
US-7777035-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-08-17 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 (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-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885RAB9A 4494/4885CYP2C19 2476/4885

“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.