SCHEMBL5908043

SCHEMBL5908043

COCCC1CNCCN1c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.55
SLC6A3 Q01959 14/20 0.55
SLC6A2 P23975 13/20 0.55
CYP2D6 P10635 7/20 0.55
ADRB1 P08588 2/20 0.47
USP2 O75604 1/20 0.38
FFAR1 O14842 2/20 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
SCHEMBL8472280 0.82 SLC6A2 (0.60) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
SCHEMBL23632333 0.77 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
SCHEMBL23632331 0.77 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
SCHEMBL28596325 0.76 USP2 (0.49) SLC6A4SLC6A3SLC6A2ADRB1USP2
SCHEMBL1473008 0.76 USP2 (0.49) SLC6A4SLC6A3SLC6A2ADRB1USP2
SCHEMBL29688057 0.76 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
SCHEMBL30857705 0.74 ADRB1 (0.42) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
SCHEMBL19948059 0.72 CYP2D6 (0.39) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL19948060 0.72 CYP2D6 (0.39) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2258781 0.71 SLC6A2 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 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 (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-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ SLC6A4 2981/4885SLC6A3 4190/4885SLC6A2 3649/4885

“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.