SCHEMBL5111953

SCHEMBL5111953

CCCCNc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
RIPK1 Q13546 1/20 0.37
TLR8 Q9NR97 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
TRPA1 O75762 2/20 0.35
CYP1A2 P05177 1/20 0.35
AR P10275 1/20 0.35
PTGS2 P35354 2/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL5126846 0.90 TRPA1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL2987276 0.83 PTPN5 (0.34) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL7674418 0.80 TAAR1 (0.39) MRGPRX4
SCHEMBL8178051 0.75 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5116072 0.75 ALDH1A1 (0.37) TLR7TRPA1ARPTGS2ALDH1A1
SCHEMBL9784685 0.75 ABL1 (0.44) SMN1; SMN2LMNAHTTCYP1A2ALDH1A1
SCHEMBL5897460 0.74 RAB9A (0.54) KMT2ASMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL5121946 0.73 APP (0.43) HDAC3HDAC1HDAC2ALDH1A1HDAC6
SCHEMBL2988463 0.73 KIF11 (0.44) ALDH1A1
SCHEMBL5119302 0.72 POLB (0.45) MEN1KMT2ASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 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 (2 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MEN1 2396/4885KMT2A 3935/4885SMN1; SMN2 2059/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MEN1 2257/4885KMT2A 3842/4885SMN1; SMN2 2004/4885

“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.