SCHEMBL14039675

SCHEMBL14039675

Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C(=O)O)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.63
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL2873189 0.88 CCR1 (0.59) CCR1TSHRTP53LMNAALDH1A1
SCHEMBL13066688 0.84 CCR1 (0.71) CCR1
SCHEMBL13715751 0.82 CCR1 (0.57) CCR1TSHRL3MBTL1TP53LMNA
SCHEMBL27642598 0.81 CCR1 (0.52) CCR1TP53MAPTMEN1KMT2A
SCHEMBL27662980 0.80 CCR1 (0.57) CCR1TP53LMNATHRBALDH1A1
SCHEMBL2872952 0.79 CCR1 (0.74) CCR1TP53
SCHEMBL13715686 0.79 CCR1 (0.58) CCR1TP53ALDH1A1MAPTMEN1
SCHEMBL2873980 0.79 CCR1 (0.64) CCR1TP53LMNATHRBALDH1A1
SCHEMBL2870322 0.79 CCR1 (0.64) CCR1TP53LMNATHRBALDH1A1
SCHEMBL14039628 0.79 CCR1 (0.64) CCR1TP53LMNATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867336-B 1-aryl-4-substituted piperazines derivatives and pharmaceutical use thereof CHEMOCENTRYX INC 2010-05-12 CN disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
CN-1867336-A 1-aryl-4-substituted piperazines derivatives for use as CCR1 antagonists for the treatment of inflammation and immune disorders CHEMOCENTRYX INC (US) 2006-11-22 CN 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885TSHR 2351/4885L3MBTL1 1517/4885

“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.