SCHEMBL496506

SCHEMBL496506

N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
SLC18A3 Q16572 2/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CSNK1E P49674 1/20 0.42

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
SCHEMBL496505 1.00 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL496940 0.99 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL496941 0.99 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL496300 0.92 SLC18A3 (0.52) SLC18A3ALDH1A1POLBCSNK1E
SCHEMBL496299 0.92 SLC18A3 (0.52) SLC18A3ALDH1A1POLBCSNK1E
Hydrochloric Acid SCHEMBL496576 0.91 SLC18A3 (0.51) SLC18A3ALDH1A1POLB
Hydrochloric Acid SCHEMBL496575 0.91 SLC18A3 (0.51) SLC18A3ALDH1A1POLB
SCHEMBL496223 0.86 SLC18A3 (0.60) DRD2SLC18A3
Hydrochloric Acid SCHEMBL496080 0.85 SLC18A3 (0.58) SLC18A3
SCHEMBL3270420 0.83 KMT2A (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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 (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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 DRD2 277/4885DRD3 66/4885DRD1 210/4885

“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.