SCHEMBL10199340

SCHEMBL10199340

CC(C)c1ccc2c(c1)CC(C(C)C)NC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 13/20 0.58
▸ ADRA2A P08913 4/20 0.58
▸ ADRA2B P18089 3/20 0.58
▸ ADRA2C P18825 3/20 0.58
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HPGD P15428 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL10262260 0.81 PNMT (0.59) PNMTADRA2AADRA2BADRA2CGFER
SCHEMBL10262098 0.81 PNMT (0.51) PNMTADRA2AADRA2BADRA2CCHRNB2
SCHEMBL12938097 0.80 PNMT (0.66) PNMTADRA2AADRA2BADRA2CGFER
SCHEMBL31158806 0.77 PNMT (0.67) PNMTADRA2AADRA2BADRA2C
SCHEMBL31158866 0.77 PNMT (0.67) PNMTADRA2AADRA2BADRA2C
SCHEMBL13416396 0.77 PNMT (0.67) PNMTADRA2AADRA2BADRA2C
SCHEMBL12741563 0.77 PNMT (0.67) PNMTADRA2AADRA2BADRA2C
SCHEMBL10092704 0.76 ADRA2A (0.41) PNMTADRA2AADRA2BADRA2CCHRNB2
SCHEMBL13920370 0.75 CHRNB2 (0.40) PNMTADRA2AADRA2BADRA2CCHRNB2
SCHEMBL20883591 0.75 PNMT (0.60) PNMTADRA2AADRA2BADRA2CCHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — 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 (2 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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR PNMT 4825/4885ADRA2A 231/4885ADRA2B 207/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 PNMT 3737/4885ADRA2A 3282/4885ADRA2B 3728/4885

“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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