SCHEMBL24631003

SCHEMBL24631003

O[C@@H](CNC1CCC1)c1ccc2nc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.49
▸ ADRB2 P07550 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ BCHE P06276 2/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ QPCT Q16769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ CYP26A1 O43174 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL24630978 0.80 ADRB2 (0.52) ADRB2KDM4ELMNAPOLBMAPK1
SCHEMBL11476242 0.80 ADRB2 (0.52) ADRB2KDM4ELMNAPOLBMAPK1
SCHEMBL22864145 0.76 HTT (0.46) KDM4EQPCTHDAC6PRKCIPOLB
SCHEMBL10467019 0.76 PRKCI (0.51) ADRB2KDM4ELMNAQPCTHDAC6
SCHEMBL10465746 0.75 PRKCI (0.46) KDM4EQPCTHDAC6PRKCICYP26A1
SCHEMBL10467043 0.75 PRKCI (0.46) KDM4EQPCTHDAC6PRKCICYP26A1
SCHEMBL22864259 0.74 CCNE1 (0.46) EPHX1KDM4ENPC1LMNASMYD3
Norbudrine SCHEMBL29387737 0.74 ADRB2 (0.65) ADRB2KDM4ELMNAPOLBMAPK1
Norbudrine SCHEMBL2732733 0.74 ADRB2 (0.65) ADRB2KDM4ELMNAPOLBMAPK1
SCHEMBL24631002 0.73 HTT (0.41) ADRB2KDM4EPRKCIPOLBMAPK1

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 EPHX1 1317/4885ADRB2 1/4885KDM4E 4707/4885

“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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