SCHEMBL18701837

SCHEMBL18701837

CC(C)(C)C(=O)N1C2CCC1CC(c1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 9/20 0.53
▸ SLC18A3 Q16572 5/20 0.48
▸ SIGMAR1 Q99720 5/20 0.48
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ OPRD1 P41143 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
SCHEMBL18711267 0.83 SLC18A3 (0.50) SLC18A3SIGMAR1AKR1C3AKR1C1DRD2
SCHEMBL23124105 0.83 SLC18A3 (0.53) SLC18A3SIGMAR1AKR1C3AKR1C1DRD2
SCHEMBL3028543 0.82 CHRM2 (0.59) SLC18A3SIGMAR1
SCHEMBL16358521 0.82 CHRM2 (0.59) SLC18A3SIGMAR1
SCHEMBL14081578 0.77 CHRM1 (0.56) SLC18A3SIGMAR1
SCHEMBL13328860 0.75 RIPK1 (0.58) RIPK1
SCHEMBL21467223 0.75 OPRM1 (0.46) RIPK1OPRM1OPRD1
SCHEMBL18701767 0.75 RIPK1 (0.54) RIPK1
SCHEMBL18701866 0.74 RIPK1 (0.45) RIPK1
SCHEMBL18702251 0.74 SPR (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR RIPK1 2586/4885SLC18A3 1255/4885SIGMAR1 192/4885

“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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