SCHEMBL22864136

SCHEMBL22864136

O[C@@H](CNC1CCC1)c1cccc2[nH]nc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR1A P08908 6/20 0.38
▸ ADRB1 P08588 4/20 0.37
▸ ADRB2 P07550 3/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 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
SCHEMBL24630999 0.95 SIGMAR1 (0.38) KDM4EHTR1AADRB1ADRB2SIGMAR1
SCHEMBL24630996 0.85 LMNA (0.40) KDM4EHTR1AADRB1ADRB2SIGMAR1
SCHEMBL24630918 0.81 ADRB1 (0.47) ADRB1ADRB2
SCHEMBL24630979 0.80 SIGMAR1 (0.40) KDM4EHTR1AADRB1ADRB2SIGMAR1
SCHEMBL24631010 0.78 ADRB1 (0.33) ADRB1ADRB2
SCHEMBL22864107 0.78 ADRB2 (0.48) KDM4EADRB1ADRB2LMNA
SCHEMBL24630994 0.78 ADRB2 (0.36) KDM4EADRB1ADRB2
SCHEMBL24630929 0.77 ADRB1 (0.34) ADRB1ADRB2
SCHEMBL24631035 0.75 ADRB2 (0.36) ADRB1ADRB2
SCHEMBL6925470 0.70 GLA (0.46) KDM4EADRB1ADRB2SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-10-06 — — US disclosed
WO-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 — — 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 (1 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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C KDM4E 4707/4885HTR1A 154/4885ADRB1 2/4885

“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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