SCHEMBL3321140

SCHEMBL3321140

CC1(C)OB(c2ccc(CO)c(F)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.55
LIPG Q9Y5X9 14/20 0.47
LPL P06858 13/20 0.47
F11 P03951 2/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
EGFR P00533 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL15471367 0.87 LIPG (0.47) ROCK1LIPGLPLF11CA1
SCHEMBL16795239 0.85 LIPG (0.45) ROCK1LIPGLPLF11CA1
SCHEMBL18643675 0.85 ROCK1 (0.56) ROCK1LIPGLPLF11CA1
SCHEMBL17430653 0.84 ROCK1 (0.52) ROCK1LIPGLPLF11CA1
SCHEMBL2562597 0.84 ROCK1 (0.52) ROCK1LIPGLPLF11CA1
SCHEMBL31643226 0.84 ROCK1 (0.52) ROCK1LIPGLPLF11CA1
SCHEMBL18197394 0.83 ROCK1 (0.43) ROCK1LIPGLPLF11CA1
SCHEMBL793337 0.83 LIPG (0.57) ROCK1LIPGLPLF11CA1
SCHEMBL3226225 0.82 LIPG (0.44) ROCK1LIPGLPLF11CA1
SCHEMBL14898157 0.82 ROCK1 (0.63) ROCK1LIPGLPLF11CA1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333429-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS INC (US) 2025-10-30 US disclosed
EP-4622981-A1 MODULATORS OF TNF-ALPHA ACTIVITY Forward Therapeutics, Inc. (US) 2025-10-01 EP disclosed
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 ASTRAZENECA AB (SE) 2025-09-02 US disclosed
US-12384808-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-11-21 US disclosed
US-12065433-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2024-08-20 US disclosed
US-20240247014-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-07-25 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-06-20 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 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 (10 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-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 ROCK1 1530/4885LIPG 2773/4885LPL 3026/4885
US-12065433-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 ROCK1 826/4885LIPG 4195/4885LPL 2552/4885
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 ROCK1 1530/4885LIPG 2773/4885LPL 3026/4885
US-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP ROCK1 1353/4885LIPG 934/4885LPL 563/4885
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 CX3CR1, CCR2, CCR5 ROCK1 1530/4885LIPG 2773/4885LPL 3026/4885
US-12384808-B2 Modulators of TNF-α activity TNF, NFKBIA, TNFRSF1A ROCK1 668/4885LIPG 641/4885LPL 828/4885
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 ROCK1 3506/4885LIPG 4848/4885LPL 4567/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 ROCK1 745/4885LIPG 3515/4885LPL 3942/4885
US-20250333429-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, NFKBIA, TNFRSF1A ROCK1 779/4885LIPG 565/4885LPL 1029/4885
US-20240247014-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, NFKBIA, TNFRSF1A ROCK1 779/4885LIPG 565/4885LPL 1029/4885

“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.