SCHEMBL6490663

SCHEMBL6490663

COCOc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.47
▸ FFAR1 O14842 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ AR P10275 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ P4HB P07237 1/20 0.40

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
SCHEMBL4750637 0.87 TBXAS1 (0.46) TBXAS1FFAR1SMN1; SMN2NR1H4GABRG2
SCHEMBL29996269 0.84 TBXAS1 (0.52) TBXAS1FFAR1
SCHEMBL2908379 0.84 TBXAS1 (0.52) TBXAS1FFAR1
SCHEMBL6358005 0.82 FFAR1 (0.37) FFAR1
SCHEMBL1821556 0.81 GABRG2 (0.54) TBXAS1FFAR1SMN1; SMN2GABRG2GABRB3
SCHEMBL1607526 0.80 MAOB (0.48) FFAR1SMN1; SMN2
SCHEMBL1659697 0.79 MAOB (0.50) —
SCHEMBL30083320 0.79 P4HB (0.55) SLC6A2SLC6A4SLC6A3ARP4HB
SCHEMBL103841 0.79 P4HB (0.55) SLC6A2SLC6A4SLC6A3ARP4HB
SCHEMBL30915388 0.79 CLK4 (0.42) GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
CN-108434147-B 4- (3-cyanophenyl) -6-pyridylpyrimidine MGLU5 modulators 赫普泰雅治疗有限公司 2021-02-02 — — CN disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 — — CN disclosed
CN-105377832-A 4- (3-cyanophenyl) -6-pyridylpyrimidine MGLU5 modulators HEPTARES THERAPEUTICS LTD 2016-03-02 — — CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 — — US disclosed
US-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 — — US disclosed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 — — EP disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 — — US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 — — EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 — — EP disclosed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 — — WO disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 — — 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 (3 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 TBXAS1 1602/4885FFAR1 1292/4885SMN1; SMN2 3834/4885
US-20050154230-A1 Urea derivatives SLC14A1, UBA1, VAT1 TBXAS1 2357/4885FFAR1 577/4885SMN1; SMN2 1171/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TBXAS1 1602/4885FFAR1 1292/4885SMN1; SMN2 3834/4885

“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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