SCHEMBL29722048

SCHEMBL29722048

CC(C)(C)NCCc1cncc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.35
▸ TRPA1 O75762 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ MPO P05164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL29721743 0.79 NOS1 (0.39) HRH4HRH3TAAR1GRIN1GRIN2B
SCHEMBL22455139 0.79 NOS1 (0.39) HRH4HRH3TAAR1GRIN1GRIN2B
SCHEMBL13900369 0.74 TAAR1 (0.66) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13841176 0.74 CHRNB2 (0.37) TRPA1CHRNB2CHRNA4MPOHCAR2
SCHEMBL22068726 0.73 KDM4E (0.48) NPSR1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL22905235 0.72 TRPA1 (0.37) TRPA1CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL13900372 0.72 TAAR1 (0.61) TAAR1CHRNA4NPSR1KMT2ASMN1; SMN2
SCHEMBL16822086 0.71 HCAR2 (0.44) TAAR1MEN1KMT2ASMN1; SMN2HCAR2
SCHEMBL2733403 0.70 CHRNA7 (0.52) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL22493447 0.70 HRH4 (0.33) HRH4HRH3MEN1KMT2ASMN1; SMN2

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-11357757-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia ATROGI AB (SE) 2022-06-14 — — 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-11357757-B2 Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia SLC5A2, SLC5A1, GPR119 HRH4 342/4885HRH3 288/4885TAAR1 2370/4885

“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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