SCHEMBL3936898

SCHEMBL3936898

CCCCCCN(CC)Cc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LIN28A Q9H9Z2 1/20 0.59
KCNH2 Q12809 6/20 0.50
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
TERT O14746 1/20 0.43
CYP2D6 P10635 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNA5 P22460 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CXCR4 P61073 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL135635 0.94 TDP1 (0.68) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL27681560 0.94 TDP1 (0.62) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL15177847 0.94 TDP1 (0.68) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL29898520 0.94 TDP1 (0.68) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL1051354 0.94 TDP1 (0.68) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL29402044 0.94 TDP1 (0.68) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL230599 0.92 TDP1 (0.70) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL825403 0.91 TDP1 (0.69) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL825181 0.91 TDP1 (0.69) TDP1MAPTSMN1; SMN2LIN28AKCNH2
SCHEMBL1332466 0.91 TDP1 (0.69) TDP1MAPTSMN1; SMN2LIN28AKCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP claimed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP disclosed
US-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-11-24 US disclosed
US-6903088-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-31 US disclosed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US disclosed
CN-1346350-A Compounds that inhibit VLA-4 mediated leukocyte adhesion ELAN PHARM INC (US) 2002-04-24 CN disclosed
EP-1144384-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043369-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 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-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 TDP1 3892/4885MAPT 816/4885SMN1; SMN2 1933/4885
US-20030144328-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 TDP1 3892/4885MAPT 816/4885SMN1; SMN2 1933/4885

“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.