SCHEMBL21995126

SCHEMBL21995126

[CH2]C(F)c1ccc(C2CC2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.36
SLC6A4 P31645 10/20 0.36
SLC6A3 Q01959 10/20 0.36
CYP2D6 P10635 9/20 0.36
KCNH2 Q12809 8/20 0.36
SMURF2 Q9HAU4 1/20 0.33
SMURF1 Q9HCE7 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
HSD11B1 P28845 1/20 0.31
ESR2 Q92731 2/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL15028917 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL18097765 0.75 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL18075712 0.75 PDE2A (0.49) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL21180421 0.75 LMNA (0.56) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL21994528 0.72 TP53 (0.52)
SCHEMBL9870878 0.72 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL16959403 0.71 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL19404209 0.71 QDPR (0.37) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL15517647 0.71 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL21872089 0.70 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US 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 SLC6A2 4686/4885SLC6A4 4691/4885SLC6A3 4657/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB SLC6A2 2886/4885SLC6A4 2504/4885SLC6A3 2897/4885

“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.