SCHEMBL21994683

SCHEMBL21994683

[CH2]C(F)(F)c1ccc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
NFE2L2 Q16236 2/20 0.37
CYP19A1 P11511 3/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PLAU P00749 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
PTK2 Q05397 1/20 0.32
HTT P42858 1/20 0.32
TRPA1 O75762 1/20 0.32
BRD4 O60885 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL2129781 0.82 TRPV4 (0.58) TRPV4NFE2L2CYP19A1ADRA2AADRA2B
SCHEMBL29937655 0.82 TRPV4 (0.58) TRPV4NFE2L2CYP19A1ADRA2AADRA2B
SCHEMBL25894823 0.78 TRPV4 (0.39) TRPV4NFE2L2CYP19A1ADRA2AADRA2B
SCHEMBL25886965 0.78 NFE2L2 (0.41) TRPV4NFE2L2CYP19A1ADRA2AADRA2B
SCHEMBL25012763 0.78 TRPV4 (0.39) TRPV4NFE2L2CYP19A1ADRA2AADRA2B
SCHEMBL19086840 0.76 TRPV4 (0.40) TRPV4L3MBTL1TRPA1
SCHEMBL10831553 0.75 NFE2L2 (0.44) NFE2L2CYP19A1ADRA2AADRA2BADRA2C
SCHEMBL3890671 0.74 GRIN2B (0.39) TRPV4NFE2L2CYP19A1ADRA2AADRA2B
SCHEMBL17583179 0.74 GRIN2B (0.37) TRPV4CYP19A1ADRA2AADRA2BADRA2C
SCHEMBL18443093 0.74 GRIN2B (0.37) TRPV4NFE2L2CYP19A1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783191-A Tricyclic carboxamide derivatives as PRMT5 inhibitors 美国安进公司 2023-09-19 CN disclosed
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
EP-4156936-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-05 EP disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
WO-2021239766-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-02 WO disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 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 (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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX TRPV4 3450/4885NFE2L2 2054/4885CYP19A1 37/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB TRPV4 3944/4885NFE2L2 3364/4885CYP19A1 2761/4885

“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.