SCHEMBL13066545

SCHEMBL13066545

Nc1c(Br)c(-c2ccccc2)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
CCR1 P32246 1/20 0.48
MEN1 O00255 1/20 0.47
SLC6A7 Q99884 1/20 0.47
TSHR P16473 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.47
GRM5 P41594 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2874438 0.84 GFER (0.49) GFERKMT2ALMNACCR1MEN1
SCHEMBL14625886 0.81 CCR1 (0.63) CCR1
SCHEMBL14015544 0.79 CCR1 (0.54) GFERKMT2ALMNACCR1MEN1
SCHEMBL2873646 0.78 CCR1 (0.61) GFERKMT2ALMNACCR1
SCHEMBL13715579 0.78 GFER (0.49) GFERKMT2ALMNACCR1MEN1
SCHEMBL2874558 0.77 CCR1 (0.61) CCR1ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL13024675 0.77 TP53 (0.50) GFERKMT2ALMNACCR1MEN1
SCHEMBL2875360 0.76 ME2 (0.55) GFERKMT2ALMNACCR1MEN1
SCHEMBL2873980 0.74 CCR1 (0.64) GFERLMNACCR1ALDH1A1MAPT
SCHEMBL2873317 0.73 TP53 (0.56) GFERKMT2ALMNACCR1MEN1

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
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP 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
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 GFER 4501/4885KMT2A 3499/4885LMNA 4218/4885

“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.