SCHEMBL13430367

SCHEMBL13430367

Cn1nc(C(F)(F)F)c(Cl)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.41
CCR1 P32246 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GLA P06280 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ENPP1 P22413 1/20 0.38

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
SCHEMBL13066522 0.85 SMN1; SMN2 (0.46) POLBLMNACCR1KDM4ENR1H2
SCHEMBL13066524 0.85 MEN1 (0.46) POLBCCR1NR1H2NR1H3PTGS1
SCHEMBL13683098 0.85 KIF11 (0.39) POLBALDH1A1PTGS1PTGS2NPC1
SCHEMBL13683096 0.83 LMNA (0.46) POLBLMNAALDH1A1CYP1A2NPC1
SCHEMBL14039660 0.83 POLB (0.41) POLBLMNACYP1A2PTGS1PTGS2
SCHEMBL13715657 0.80 POLB (0.40) POLBCCR1KDM4ENR1H2NR1H3
SCHEMBL13975162 0.80 POLB (0.62) POLBLMNAALDH1A1HPGDKDM4E
SCHEMBL14039939 0.80 POLB (0.54) POLBLMNAALDH1A1HPGDKDM4E
SCHEMBL16200074 0.80 POLB (0.40) POLBLMNACYP1A2CYP2D6PTGS1
SCHEMBL14139212 0.80 POLB (0.40) POLBCCR1ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084146-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-21 EP disclosed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US 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
WO-2008042925-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 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-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CCR1, ACKR3 POLB 2739/4885LMNA 3593/4885CCR1 2/4885

“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.