SCHEMBL3553372

SCHEMBL3553372

Cc1cnc(OC(C)C)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
OPRK1 P41145 1/20 0.31
APLNR P35414 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
TYK2 P29597 1/20 0.30
MAPT P10636 1/20 0.30
PSMD14 O00487 1/20 0.30
COPS5 Q92905 1/20 0.30

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
SCHEMBL16044313 0.83 GAA (0.35) CCR1CCR5CCR8NOS3NOS1
SCHEMBL11962330 0.80 NOS3 (0.43) LRRK2CCR1CCR5CCR8NOS3
SCHEMBL26693926 0.79 PLAU (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31703952 0.79
SCHEMBL29837826 0.79 PLAU (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16248212 0.79 POLB (0.33)
SCHEMBL8330978 0.79 CDK1 (0.35) MAPT
SCHEMBL1845695 0.78 SLC13A5 (0.37) CCR1CCR5CCR8NOS3NOS1
SCHEMBL24048533 0.77 ALOX5AP (0.36) LRRK2CCR1CCR5CCR8NOS3
SCHEMBL15599222 0.77 S1PR1 (0.38) LRRK2CCR1CCR5CCR8NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105392777-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2020-09-22 CN disclosed
EP-3013796-B9 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2020-07-01 EP disclosed
EP-3628661-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEM, LTD. (KR) 2020-04-01 EP disclosed
US-10221138-B2 Biaryl derivatives as GPR120 agonists LG CHEM, LTD. (KR) 2019-03-05 US disclosed
US-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2016-06-16 US disclosed
EP-3013796-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2016-05-04 EP disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
WO-2014209034-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-12-31 WO disclosed
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 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 (6 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 LRRK2 719/4885CCR1 1743/4885CCR5 1323/4885
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A LRRK2 635/4885CCR1 1741/4885CCR5 690/4885
US-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GIPR LRRK2 405/4885CCR1 812/4885CCR5 146/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B LRRK2 500/4885CCR1 1966/4885CCR5 699/4885
US-10221138-B2 Biaryl derivatives as GPR120 agonists GPR119, GLP1R, GIPR LRRK2 405/4885CCR1 812/4885CCR5 146/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B LRRK2 415/4885CCR1 3864/4885CCR5 4252/4885

“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.