SCHEMBL6507312

SCHEMBL6507312

COC(=O)c1cc(F)cc(N2CCC(Nc3ncccn3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.42
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
OPRK1 P41145 1/20 0.41
CNR1 P21554 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
NPY5R Q15761 5/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6504006 0.87 TTR (0.46) DRD2DRD3CNR1NPY5RCNR2
SCHEMBL6498473 0.86 DRD2 (0.47) DRD2DRD3CNR1
SCHEMBL6498944 0.80 ABL1 (0.45) OPRK1NPY5RMEN1KMT2A
SCHEMBL6504216 0.79 DRD2 (0.43) DRD2DRD3OPRK1CNR1PSEN1
SCHEMBL382924 0.79 ALDH1A1 (0.48) BPTFMEN1KMT2A
SCHEMBL6507428 0.79 KDM4E (0.46) BPTFDRD2DRD3CNR1CNR2
SCHEMBL6506081 0.78 ALDH1A1 (0.42) OPRK1NPY5RMEN1KMT2A
SCHEMBL7653004 0.76 NPC1 (0.49) DRD2DRD3CNR1CNR2MEN1
SCHEMBL446373 0.75 DRD2 (0.49) BPTFDRD2DRD3MEN1KMT2A
SCHEMBL19386229 0.74 MAPT (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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 (1 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 BPTF 751/4885DRD2 796/4885DRD3 514/4885

“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.