SCHEMBL16188993

SCHEMBL16188993

CNCc1nc2cc(C3CC3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.54
▸ IDO1 P14902 5/20 0.44
▸ PRCP P42785 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ TLR9 Q9NR96 7/20 0.36
▸ TLR8 Q9NR97 5/20 0.36
▸ TLR7 Q9NYK1 5/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DDAH1 O94760 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TRIM58 Q8NG06 1/20 0.34

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
Hydrochloric Acid SCHEMBL16176984 0.99 PKM (0.56) PKMIDO1PRCPCHRNA7TLR9
SCHEMBL21486288 0.77 PKM (0.61) PKMLMNA
SCHEMBL21034172 0.77 IDO1 (0.57) IDO1CHRNA7TLR9TLR8TLR7
SCHEMBL24376403 0.76 PKM (0.59) PKMLMNA
SCHEMBL7366882 0.76 PKM (0.59) PKMHRH4
SCHEMBL16188992 0.76 PKM (0.59) PKMDDAH1LMNA
SCHEMBL13122022 0.75 CHRNB2 (0.46) TLR9TLR8TLR7
SCHEMBL21034157 0.75 IDO1 (0.78) IDO1PRCPCHRNA7
SCHEMBL21000937 0.75 IDO1 (0.42) IDO1CHRNA7LMNA
SCHEMBL8327049 0.72 PKM (0.55) PKMIDO1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2987793-B1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
US-9708307-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2017-07-18 — — US disclosed
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-02-12 — — US disclosed
US-8937087-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2015-01-20 — — US disclosed
WO-2014171528-A1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND アステラス製薬株式会社 (JP) 2014-10-23 — — WO disclosed
US-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-23 — — 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 (2 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-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD1, DRD2, OPRD1 PKM 2819/4885IDO1 2135/4885PRCP 4251/4885
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD2, DRD1, OPRD1 PKM 2958/4885IDO1 2202/4885PRCP 4315/4885

“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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