SCHEMBL24065670

SCHEMBL24065670

C[C@H](Cc1ccc(C=O)cc1)NC[C@H](O)c1cccnc1C1=CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ ADRB1 P08588 13/20 0.38
▸ ADRB3 P13945 12/20 0.38
▸ ADRB2 P07550 7/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ PTGS2 P35354 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
SCHEMBL22480717 0.86 ADRB2 (0.47) CYP3A4MAPK1CYP2D6TSHRCYP1A2
SCHEMBL26049484 0.80 CYP3A4 (0.49) CYP3A4MAPK1CYP2D6TSHRHIF1A
SCHEMBL24065695 0.78 CYP3A4 (0.44) CYP3A4MAPK1CYP2D6TSHRHIF1A
SCHEMBL22490020 0.73 HIF1A (0.45) CYP3A4CYP2D6TSHRHIF1ANFKB1
SCHEMBL13439540 0.68 F2RL1 (0.40) CYP1A2
SCHEMBL10094481 0.67 KDM5B (0.40) CYP1A2RAB9A
SCHEMBL22481288 0.64 ADRB2 (0.56) CYP3A4MAPK1CYP2D6TSHRCYP1A2
SCHEMBL5383451 0.64 TRIM24 (0.43) CYP1A2RAB9ALMNANPSR1
SCHEMBL22480747 0.64 ADRB2 (0.49) CYP3A4MAPK1CYP2D6TSHRCYP1A2
SCHEMBL9781951 0.62 ADRB2 (0.58) CYP3A4MAPK1CYP2D6TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2021-12-02 — — 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 (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-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C CYP3A4 1218/4885MAPK1 4205/4885CYP2D6 946/4885

“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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