SCHEMBL22864145

SCHEMBL22864145

CC(C)CNC[C@H](O)c1ccc2nc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ QPCT Q16769 7/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 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
SCHEMBL11476242 0.85 ADRB2 (0.52) POLBMAPK1KDM4EMAPTKMT2A
SCHEMBL24630978 0.85 ADRB2 (0.52) POLBMAPK1KDM4EMAPTKMT2A
SCHEMBL10467019 0.78 PRKCI (0.51) HTTQPCTMAPK1NAMPTMMP12
SCHEMBL24631002 0.78 HTT (0.41) HTTPOLBMAPK1PRKCIKDM4E
SCHEMBL10465746 0.77 PRKCI (0.46) HTTQPCTPOLBNAMPTMMP12
SCHEMBL10467043 0.77 PRKCI (0.46) HTTQPCTPOLBMAPK1NAMPT
SCHEMBL24631003 0.76 EPHX1 (0.49) QPCTPOLBMAPK1HDAC6PRKCI
SCHEMBL23655003 0.74 PRKCI (0.53) HTTQPCTNAMPTMMP12HDAC6
SCHEMBL8013060 0.74 PRKCI (0.53) HTTQPCTNAMPTMMP12HDAC6
SCHEMBL11476231 0.74 ADRB2 (0.52) POLBMAPK1KDM4EMAPTKMT2A

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 HTT 3293/4885QPCT 2130/4885POLB 1438/4885

“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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