SCHEMBL20586173

SCHEMBL20586173

CS(=O)(=O)N1CCN(c2nc3cnccc3[nH]2)C(c2ccccn2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ JAK2 O60674 9/20 0.35
▸ JAK3 P52333 9/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TRPC3 Q13507 1/20 0.33

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
SCHEMBL16053272 0.78 HTR3A (0.41) DRD4BCHEACHEMAPTRAB9A
SCHEMBL16053274 0.65 MAPT (0.76) DRD4BCHEACHEMAPTRAB9A
SCHEMBL1701390 0.62 L3MBTL1 (0.41) ALDH1A1HSD17B10HPGD
SCHEMBL11397558 0.60 METAP2 (0.77) MAPTRAB9AHPGD
SCHEMBL24015604 0.59 GCK (0.45) CYP1A2
SCHEMBL26465261 0.59 GCK (0.45) CYP1A2
SCHEMBL24015591 0.59 GCK (0.45) CYP1A2
SCHEMBL16053273 0.59 PLD1 (0.39) DRD4MAPTRAB9AALDH1A1HSD17B10
SCHEMBL17611157 0.59 MAPT (0.37) DRD4MAPTRAB9AALDH1A1
SCHEMBL16053223 0.59 NUDT1 (0.38) DRD4MAPTRAB9AALDH1A1

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-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-12-20 — — 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-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 DRD4 4156/4885BCHE 4455/4885ACHE 865/4885

“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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