SCHEMBL24065695

SCHEMBL24065695

C[C@H](Cc1ccc(C=O)cc1)NC[C@H](O)c1cccnc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ADRB1 P08588 8/20 0.41
▸ ADRB3 P13945 8/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ADRB2 P07550 10/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ MC4R P32245 1/20 0.35

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
SCHEMBL22480747 0.85 ADRB2 (0.49) CYP3A4MAPK1CYP2D6TSHRCYP1A2
SCHEMBL26049484 0.82 CYP3A4 (0.49) CYP3A4MAPK1HIF1ACYP2D6TSHR
SCHEMBL24065670 0.78 CYP3A4 (0.42) CYP3A4MAPK1HIF1ACYP2D6TSHR
SCHEMBL22481297 0.72 ADRB2 (0.48) CYP3A4HIF1ACYP2D6TSHRCYP1A2
SCHEMBL22480686 0.72 CYP2D6 (0.49) HIF1ACYP2D6CYP1A2NFKB1ADRB1
SCHEMBL6636459 0.69 OPRL1 (0.39) CYP2D6CYP1A2PTGS1SLC6A2SLC6A4
SCHEMBL22481009 0.67 ADRB2 (0.50) CYP3A4HIF1ACYP2D6TSHRCYP1A2
SCHEMBL22481288 0.66 ADRB2 (0.56) CYP3A4MAPK1CYP2D6TSHRCYP1A2
SCHEMBL13439542 0.66 CHRNA7 (0.45) CYP3A4HIF1ATSHRCYP1A2LMNA
SCHEMBL21974223 0.65 CHRNA7 (0.44) MAPK1RAB9AOPRM1

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 4205/4885HIF1A 2371/4885

“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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