SCHEMBL5115414

SCHEMBL5115414

CC(C)(C)Nc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
KIF11 P52732 2/20 0.33
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL2988463 0.80 KIF11 (0.44) KIF11PDE2A
SCHEMBL2987276 0.76 PTPN5 (0.34) KIF11TRPA1PDE2A
SCHEMBL5126483 0.76 KCNH3 (0.38) KIF11TRPA1PDE2A
SCHEMBL5126846 0.73 TRPA1 (0.43) KIF11TRPA1
SCHEMBL2748592 0.73 DYRK1A (0.44) KIF11
SCHEMBL5116072 0.72 ALDH1A1 (0.37) KIF11TRPV1TRPA1
SCHEMBL4422986 0.71 RXFP1 (0.43) TRPV1
SCHEMBL5111953 0.70 MEN1 (0.42) TRPA1
SCHEMBL5120153 0.70 MAPT (0.50) KIF11TRPV1
SCHEMBL905508 0.69 KIF11 (0.36) KIF11TRPV1

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 CCNE2 3441/4885CCNA2 2454/4885CCNE1 1831/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCNE2 3424/4885CCNA2 2431/4885CCNE1 1677/4885

“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.