SCHEMBL1789240

SCHEMBL1789240

CC(Br)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.48
PDE2A O00408 3/20 0.39
P2RX7 Q99572 6/20 0.36
KDM5B Q9UGL1 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
TRPV3 Q8NET8 3/20 0.35
P2RX3 P56373 2/20 0.34
DAO P14920 1/20 0.34
MLYCD O95822 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
SCHEMBL2609310 0.84 TRPV4 (0.52) TRPV4PDE2AP2RX7KDM5BGPR139
SCHEMBL15435342 0.82 IDH1 (0.34)
SCHEMBL15702107 0.82 TRPV4 (0.50) TRPV4PDE2AP2RX7DAO
SCHEMBL1962579 0.81 SMN1; SMN2 (0.32) P2RX7MLYCD
SCHEMBL367869 0.81 TRPV4 (0.48) TRPV4PDE2AP2RX7KDM5BGPR139
SCHEMBL19773439 0.81 TRPV4 (0.48) TRPV4PDE2AP2RX7KDM5BGPR139
SCHEMBL485040 0.81 TRPV4 (0.48) TRPV4PDE2AP2RX7GPR139NR1I2
SCHEMBL998305 0.81 TRPV4 (0.48) TRPV4PDE2AP2RX7KDM5BGPR139
SCHEMBL21346253 0.81 TRPV4 (0.48) TRPV4PDE2AP2RX7KDM5BGPR139
SCHEMBL347477 0.81 TRPV4 (0.48) TRPV4PDE2AP2RX7KDM5BGPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 US disclosed
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN BIOTECH, INC. 2024-08-22 US disclosed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed
EP-4347036-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
EP-4347590-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 CN disclosed
WO-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed
US-7705154-B2 Process for the preparation of 2-substituted-5-(1-alkylthio)alkylpyridines DOW AGROSCIENCES LLC (US) 2010-04-27 US disclosed
US-7705154-B2 Process for the preparation of 2-substituted-5-(1-alkylthio)alkylpyridines DOW AGROSCIENCES LLC (US) 2010-04-27 US disclosed
EP-2086936-A2 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED-5-(1-ALKYLTHIO)ALKYLPYRIDINES Dow AgroSciences LLC (US) 2009-08-12 EP disclosed
WO-2009025397-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 WO disclosed
WO-2009025397-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 WO disclosed
CN-101248050-A Organic compounds INTRA CELLULAR THERAPIES INC (US) 2008-08-20 CN disclosed
WO-2008066558-A2 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED-5-(1-ALKYLTHIO)ALKYLPYRIDINES DOW AGROSCIENCES LLC (US) 2008-06-05 WO disclosed
US-20080132705-A1 Process for the preparation of 2-substituted-5-(1-alkylthio)alkylpyridines CORTEVA AGRISCIENCE LLC 2008-06-05 US disclosed
US-20080132705-A1 Process for the preparation of 2-substituted-5-(1-alkylthio)alkylpyridines CORTEVA AGRISCIENCE LLC 2008-06-05 US disclosed
CN-1918165-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2007-02-21 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 (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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 TRPV4 4510/4885PDE2A 3603/4885P2RX7 2462/4885
US-20080132705-A1 Process for the preparation of 2-substituted-5-(1-alkylthio)alkylpyridines AGPS, TPMT, PFAS TRPV4 1720/4885PDE2A 716/4885P2RX7 1897/4885
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 TRPV4 4510/4885PDE2A 3603/4885P2RX7 2462/4885

“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.