SCHEMBL3327

SCHEMBL3327

Fc1ccc(C(F)(F)F)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
KIF11 P52732 3/20 0.38
BACE1 P56817 1/20 0.37
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HPRT1 P00492 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AXL P30530 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC22A12 Q96S37 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8248035 0.79 ALDH1A1 (0.38) KIF11ALDH1A1TSHRHPRT1POLB
SCHEMBL6562728 0.79 HPRT1 (0.46) GPR3ALDH1A1TSHRHPRT1TDP1
SCHEMBL30366540 0.79 HPRT1 (0.46) GPR3ALDH1A1TSHRHPRT1TDP1
SCHEMBL15958515 0.76 ALDH1A1 (0.39) CYP11B2CYP11B1KIF11BACE1ALDH1A1
SCHEMBL6057597 0.76 SLC22A12 (0.39) ALDH1A1SLC22A12SMN1; SMN2
SCHEMBL4219687 0.75 SLC6A4 (0.37) ALDH1A1TSHRHPRT1L3MBTL1SLC6A4
SCHEMBL3246265 0.74 KIF11 (0.37) CYP11B2CYP11B1KIF11BACE1ALDH1A1
SCHEMBL19284577 0.74 IDO1 (0.38) KIF11BACE1ALDH1A1TSHRPOLB
SCHEMBL6566550 0.74 IDO1 (0.59) KIF11TSHRTDP1KDM4EMEN1
SCHEMBL18244061 0.74 KIF11 (0.37) KIF11BACE1ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116581241-A Positive electrode plate and preparation method and application thereof 蜂巢能源科技(无锡)有限公司 2023-08-11 CN claimed
CN-116581241-A Positive electrode plate and preparation method and application thereof 蜂巢能源科技(无锡)有限公司 2023-08-11 CN disclosed
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 US disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 US disclosed
WO-2008054675-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 WO disclosed
WO-2007136572-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007136573-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
CN-1019113-B Process for preparing 3-arylhydrido-3-substituted propanamines LILLY CO ELI (US) 1992-11-18 CN disclosed
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed
CN-87108175-A The propylamine that 3-aryloxy-3-replaces 1988-07-06 CN 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-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 CYP11B2 502/4885CYP11B1 521/4885KIF11 4117/4885
US-20070265332-A1 Antidiabetic bicyclic compounds GPR119, GPR65, FFAR4 CYP11B2 256/4885CYP11B1 271/4885KIF11 4403/4885

“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.