SCHEMBL18006271

SCHEMBL18006271

CCCc1ccc(OCc2cccc(-c3nn[nH]c3C#N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.42
FFAR4 Q5NUL3 3/20 0.42
AKR1B1 P15121 1/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAOB P27338 1/20 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
SCHEMBL18006249 0.88 RAB9A (0.44) FFAR1CYP4F2CYP4A11MAOB
SCHEMBL18006254 0.88 FFAR1 (0.45) FFAR1CYP4F2CYP4A11MAOB
SCHEMBL18004687 0.86 NR4A2 (0.45) FFAR1FFAR4AKR1B1CYP4F2CYP4A11
SCHEMBL18004696 0.85 MRGPRX4 (0.43) CYP4F2CYP4A11MAOB
SCHEMBL18006273 0.85 MRGPRX4 (0.46) FFAR1CYP4F2CYP4A11
SCHEMBL18006256 0.83 MRGPRX4 (0.43) FFAR1CYP4F2CYP4A11MAOB
SCHEMBL18006257 0.83 GRM5 (0.42) FFAR1CYP4F2CYP4A11MAOB
SCHEMBL18006266 0.83 MRGPRX4 (0.46) FFAR1CYP4F2CYP4A11MAOB
SCHEMBL18004690 0.83 FFAR1 (0.47) FFAR1MAOB
SCHEMBL18006248 0.82 MAOB (0.49) FFAR1MAOB

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 FFAR1 1292/4885FFAR4 1992/4885AKR1B1 368/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 FFAR1 1292/4885FFAR4 1992/4885AKR1B1 368/4885

“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.