SCHEMBL3464221

SCHEMBL3464221

CCOc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.60
MAPT P10636 3/20 0.56
HTT P42858 2/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49
TEAD2 Q15562 1/20 0.49

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
SCHEMBL13184089 0.91 CCR1 (0.61) CCR1MAPTHTTMAPK1RAB9A
SCHEMBL3463407 0.90 CCR1 (0.53) CCR1MAPTHTTMAPK1RAB9A
SCHEMBL1639577 0.87 CCR1 (0.69) CCR1RAB9A
SCHEMBL3469019 0.85 CCR1 (0.50) CCR1MAPTHTTMAPK1RAB9A
SCHEMBL3855803 0.84 CCR1 (0.55) CCR1HTTRAB9A
SCHEMBL3464913 0.82 CCR1 (0.51) CCR1MAPTHTTMAPK1RAB9A
SCHEMBL3464912 0.82 CCR1 (0.51) CCR1MAPTHTTMAPK1RAB9A
SCHEMBL4019916 0.81 RAB9A (0.53) CCR1MAPTHTTMAPK1RAB9A
SCHEMBL10063612 0.80 CCR1 (0.57) CCR1MAPTHTTMAPK1RAB9A
SCHEMBL27786565 0.80 CCR1 (0.48) CCR1MAPTHTTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 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 (3 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885HTT 3478/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885HTT 3478/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885HTT 3478/4885

“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.