SCHEMBL14028451

SCHEMBL14028451

O=C1c2ccccc2C(=O)N1CCCCN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.79
MAOB P27338 3/20 0.77
DRD2 P14416 1/20 0.72
DRD3 P35462 1/20 0.72

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
SCHEMBL13469510 0.96 HTR1A (0.79) HTR1AMAOBDRD2DRD3
SCHEMBL3440240 0.93 MAOB (0.73) HTR1AMAOBDRD2
SCHEMBL6339624 0.93 HTR1A (0.69) HTR1AMAOBDRD2DRD3
SCHEMBL12124720 0.91 HTR1A (0.68) HTR1AMAOBDRD2DRD3
SCHEMBL2687983 0.91 HTR1A (0.70) HTR1AMAOB
SCHEMBL8557005 0.91 HTR1A (0.70) HTR1AMAOB
SCHEMBL3174057 0.91 HTR1A (0.68) HTR1AMAOBDRD2DRD3
SCHEMBL8554502 0.90 HTR1A (0.68) HTR1AMAOB
SCHEMBL1532232 0.90 MAOB (0.73) HTR1AMAOBDRD2DRD3
SCHEMBL1569172 0.89 HTR1A (0.69) HTR1AMAOBDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 US 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 HTR1A 4228/4885MAOB 4511/4885DRD2 3131/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 HTR1A 1915/4885MAOB 4660/4885DRD2 4225/4885

“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.