SCHEMBL5111747

SCHEMBL5111747

O=C(Nc1[c]cc(C(F)(F)F)cc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.49
MLYCD O95822 1/20 0.49
AKR1C3 P42330 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 3/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL687441 0.88 MAPT (0.52) EPHX2SMN1; SMN2MAPTHPGDNPSR1
SCHEMBL686377 0.88 MAPT (0.49) EPHX2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5119293 0.84 POLB (0.46) SMN1; SMN2MAPTHPGD
SCHEMBL28363944 0.79 SMN1; SMN2 (0.70) EPHX2MLYCDAKR1C3SMN1; SMN2CYP2C9
SCHEMBL14014942 0.74 RAB9A (0.71) EPHX2MLYCDAKR1C3SMN1; SMN2GAA
SCHEMBL964201 0.73 CYP2C9 (0.60) SMN1; SMN2CYP2C9CYP2C19GAANPC1
SCHEMBL2991244 0.72 KIF11 (0.51) EPHX2NPC1RAB9AKMT2A
SCHEMBL2748592 0.72 DYRK1A (0.44) EPHX2SMN1; SMN2CYP2C9CYP2C19NPC1
SCHEMBL7113815 0.72 LMNA (0.43) EPHX2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL19745233 0.72 RAB9A (0.64) EPHX2MLYCDSMN1; SMN2CYP2C9CYP2C19

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 EPHX2 1456/4885MLYCD 2874/4885AKR1C3 491/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 EPHX2 1520/4885MLYCD 2877/4885AKR1C3 477/4885

“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.