SCHEMBL14027394

SCHEMBL14027394

Nc1n[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ GAA P10253 1/20 0.63
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45

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
SCHEMBL16825710 0.86 CYP2D6 (0.54) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL16826410 0.75 GAA (0.62) ALDH1A1GAAKDM4ELMNAHPGD
SCHEMBL16825857 0.73 HTR1A (0.55) DRD3SLC6A3MAPTNPSR1
SCHEMBL8175607 0.72 OPRM1 (0.78) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL7977689 0.72 OPRM1 (0.78) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL8186671 0.72 OPRM1 (0.78) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL3919536 0.72 OPRM1 (0.78) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL4433280 0.71 BCHE (0.61) ALDH1A1GAAKDM4ELMNAHPGD
SCHEMBL16826407 0.71 SIGMAR1 (0.58) POLB
SCHEMBL1993550 0.70 HRH4 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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 ALDH1A1 4299/4885GAA 3737/4885KDM4E 2737/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 ALDH1A1 3838/4885GAA 4183/4885KDM4E 4569/4885

“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.

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