SCHEMBL686377

SCHEMBL686377

O=C(Nc1[c]cc(C(F)(F)F)cc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX2 P34913 1/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
LMNA P02545 2/20 0.43
HPGDS O60760 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.42
FAAH O00519 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40

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 0.97 MAPT (0.52) MAPTKMT2AMEN1EPHX2HPGD
SCHEMBL5119293 0.88 POLB (0.46) MAPTHPGDCNR1CNR2LMNA
SCHEMBL5111747 0.88 EPHX2 (0.49) MAPTKMT2AMEN1EPHX2HPGD
SCHEMBL14306236 0.77 MAPT (0.69) MAPTKMT2AMEN1EPHX2CNR1
SCHEMBL6153200 0.76 KMT2A (0.69) MAPTKMT2AMEN1EPHX2HPGD
SCHEMBL2991244 0.75 KIF11 (0.51) KMT2AEPHX2RAB9ANPC1
SCHEMBL2748592 0.75 DYRK1A (0.44) MAPTEPHX2LMNAALDH1A1KDM4E
SCHEMBL7113815 0.75 LMNA (0.43) MAPTKMT2AMEN1EPHX2LMNA
SCHEMBL4559682 0.74 MAPT (0.73) MAPTKMT2AEPHX2CNR1CNR2
SCHEMBL5126131 0.73 TSHR (0.51) KMT2AMEN1EPHX2HPGDTSHR

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-1667966-B1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
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 MAPT 4241/4885KMT2A 3935/4885MEN1 2396/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MAPT 4369/4885KMT2A 3842/4885MEN1 2257/4885

“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.