SCHEMBL5111352

SCHEMBL5111352

CC(C)NC(=O)Nc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
MLYCD O95822 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FPR2 P25090 3/20 0.38
TRPV1 Q8NER1 4/20 0.37
TP53 P04637 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5120153 0.83 MAPT (0.50) SMN1; SMN2EPHX2MEN1KMT2ATRPV1
SCHEMBL2748592 0.80 DYRK1A (0.44) KDM4ESMN1; SMN2EPHX2
SCHEMBL5111541 0.79 MEN1 (0.48) SMN1; SMN2EPHX2MEN1KMT2AGAA
SCHEMBL5127453 0.78 NPC1 (0.40) NPSR1KDM4ESMN1; SMN2EPHX2MEN1
SCHEMBL12377252 0.76 EPHX2 (0.70) EPHX2MEN1KMT2AFPR2TRPV1
SCHEMBL7113815 0.76 LMNA (0.43) EPHX2MEN1KMT2ACA12CA1
SCHEMBL2991244 0.76 KIF11 (0.51) EPHX2KMT2A
SCHEMBL5126483 0.76 KCNH3 (0.38) NPSR1CA12CA1CA2
SCHEMBL4422986 0.73 RXFP1 (0.43) EPHX2TRPV1
SCHEMBL686377 0.72 MAPT (0.49) KDM4ESMN1; SMN2EPHX2MEN1KMT2A

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 NPSR1 298/4885KDM4E 4271/4885SMN1; SMN2 2059/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 NPSR1 253/4885KDM4E 4236/4885SMN1; 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.