SCHEMBL24631007

SCHEMBL24631007

CC(C)(C)NC[C@H](O)c1cc(C(F)F)cc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 6/20 0.42
▸ ADRB2 P07550 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ADRB1 P08588 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ BLM P54132 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL24630903 0.85 IDO1 (0.43) IDO1ADRB2HIF1ALMNATSHR
SCHEMBL22864253 0.84 IDO1 (0.60) IDO1ADRB2HIF1ALMNATSHR
SCHEMBL24630926 0.83 ADRB2 (0.46) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL22864073 0.82 ADRB2 (0.45) IDO1ADRB2HIF1ALMNATSHR
SCHEMBL24630972 0.81 IDO1 (0.47) IDO1ADRB2HIF1ALMNATSHR
SCHEMBL22864235 0.81 METAP2 (0.42) IDO1ADRB2HIF1ALMNATSHR
SCHEMBL24630970 0.77 IDO1 (0.59) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL24630990 0.75 ADRB2 (0.42) ADRB2HIF1ALMNATSHRCASP7
SCHEMBL22864148 0.72 ADRB2 (0.42) ADRB2HIF1ALMNATSHRCASP7
SCHEMBL29593299 0.72 ADRB2 (0.42) ADRB2HIF1ALMNATSHRCASP7

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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-10-06 — — 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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C IDO1 3184/4885ADRB2 1/4885HIF1A 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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