SCHEMBL17634311

SCHEMBL17634311

O=C(O)N1CCN(c2ccc(Br)c3cn[nH]c23)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.41
▸ TRPV1 Q8NER1 5/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ TRPC5 Q9UL62 2/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PAK1 Q13153 3/20 0.35
▸ AKT1 P31749 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ RBP4 P02753 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
SCHEMBL17634271 0.86 JAK3 (0.42) HTR6TRPV1PIK3CDPIK3CAPIK3CB
SCHEMBL17634298 0.83 CKS1B (0.45) LMNAMAPT
SCHEMBL28587642 0.81 POLB (0.44) HTR6PIK3CDPIK3CAPIK3CBLMNA
SCHEMBL26683753 0.78 DRD2 (0.47) HTR6LMNAMAPTDRD2DRD4
SCHEMBL19284723 0.75 HTR6 (0.65) HTR6LMNAMAPTDRD2DRD4
SCHEMBL31073939 0.74 TDO2 (0.54) TRPV1
SCHEMBL27804607 0.73 TRPV1 (0.58) TRPV1MAPT
SCHEMBL25275764 0.72 TRPC5 (0.60) TRPC5
SCHEMBL25237273 0.70 TRPC5 (0.39) TRPV1TRPC5LMNA
SCHEMBL30125124 0.69 NOS1 (0.41) —

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
EP-3197870-B1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2020-08-19 — — EP disclosed
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-05-24 — — US disclosed
EP-3197870-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS Araxes Pharma LLC (US) 2017-08-02 — — EP disclosed
WO-2016049524-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2016-03-31 — — 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-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS HTR6 4832/4885TRPV1 4520/4885PIK3CD 881/4885

“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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