SCHEMBL687441

SCHEMBL687441

O=C(Nc1[c]cc(C(F)(F)F)cc1)N1CCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HPGDS O60760 1/20 0.43
NAMPT P43490 1/20 0.42
FAAH O00519 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL686377 0.97 MAPT (0.49) MAPTCNR1CNR2KMT2AMEN1
SCHEMBL5119293 0.88 POLB (0.46) MAPTCNR1CNR2HPGDHPGDS
SCHEMBL5111747 0.88 EPHX2 (0.49) MAPTKMT2AMEN1EPHX2HPGD
SCHEMBL4559682 0.77 MAPT (0.73) MAPTCNR1CNR2KMT2AKDM4E
SCHEMBL2748592 0.75 DYRK1A (0.44) MAPTKDM4EEPHX2LMNAHTT
SCHEMBL2991244 0.75 KIF11 (0.51) KMT2AEPHX2
SCHEMBL7113815 0.75 LMNA (0.43) MAPTKMT2AMEN1EPHX2LMNA
SCHEMBL14306236 0.74 MAPT (0.69) MAPTCNR1CNR2KMT2AMEN1
SCHEMBL5126131 0.73 TSHR (0.51) KMT2AMEN1EPHX2HPGDTSHR
SCHEMBL6153200 0.73 KMT2A (0.69) MAPTCNR1CNR2KMT2AMEN1

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 4241/4885CNR1 310/4885CNR2 548/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MAPT 4369/4885CNR1 221/4885CNR2 509/4885

“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.