SCHEMBL3079533

SCHEMBL3079533

O=C(COc1cccnc1)NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.56
▸ HTR7 P34969 11/20 0.56
▸ DRD2 P14416 9/20 0.55
▸ HTR6 P50406 4/20 0.51
▸ ACHE P22303 1/20 0.51
▸ DRD3 P35462 3/20 0.51
▸ HTR2A P28223 1/20 0.51

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
SCHEMBL83163 0.83 HTR1A (0.63) HTR1AHTR7DRD2HTR6DRD3
SCHEMBL88226 0.81 HTR1A (0.45) HTR1ADRD2ACHEDRD3HTR2A
SCHEMBL82842 0.79 DRD2 (0.73) HTR1ADRD2DRD3
SCHEMBL3074410 0.79 DRD2 (0.73) HTR1ADRD2DRD3
SCHEMBL82749 0.78 DRD2 (0.72) HTR1ADRD2DRD3
SCHEMBL3073890 0.78 DRD2 (0.72) HTR1ADRD2DRD3
SCHEMBL82104 0.78 DRD2 (0.72) HTR1ADRD2DRD3
SCHEMBL3086811 0.78 DRD2 (0.72) HTR1ADRD2DRD3
SCHEMBL82168 0.77 KCNH2 (0.49) HTR1AACHEDRD3HTR2A
SCHEMBL3090272 0.77 DRD2 (0.65) HTR1AHTR7DRD2DRD3HTR2A

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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 — — US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 — — EP claimed
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 — — EP claimed
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 — — 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT HTR1A 3335/4885HTR7 3976/4885DRD2 4023/4885

“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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