SCHEMBL22952665

SCHEMBL22952665

N[C@@H](CCC(F)F)c1cccc(OC(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DRD1 P21728 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ RXRA P19793 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ SCN4A P35499 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ ANPEP P15144 1/20 0.34
▸ ENPEP Q07075 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
Hydrochloric Acid SCHEMBL29440435 0.98 KMT2A (0.39) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
Hydrochloric Acid SCHEMBL28719412 0.98 KMT2A (0.39) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
Hydrochloric Acid SCHEMBL28719410 0.98 KMT2A (0.39) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
SCHEMBL22952639 0.86 KMT2A (0.39) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3
SCHEMBL22965294 0.86 KMT2A (0.39) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3
SCHEMBL22952800 0.86 KMT2A (0.39) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
SCHEMBL22952702 0.85 KMT2A (0.40) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
Hydrochloric Acid SCHEMBL28711056 0.84 KMT2A (0.38) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL29440455 0.84 KMT2A (0.38) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL28711055 0.84 KMT2A (0.38) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers H. LUNDBECK A/S (DK) 2023-01-10 — — US disclosed
WO-2021023617-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-11 — — WO disclosed
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-04 — — 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 (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-11548849-B2 Alcohol derivatives as KV7 potassium channel openers KCNA7, KCNK17, KCNAB1 KMT2A 854/4885SMN1; SMN2 3139/4885DRD1 1199/4885
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 KMT2A 656/4885SMN1; SMN2 2979/4885DRD1 1067/4885

“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.

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