SCHEMBL12043687

SCHEMBL12043687

CC(=O)N1CN(C(C)C)C(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 0.55
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CES1 P23141 1/20 0.44
▸ HSD17B3 P37058 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ AMPD2 Q01433 1/20 0.37
▸ THRB P10828 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
SCHEMBL677674 0.80 NOTUM (0.60) NOTUMCYP2D6CYP2C9CES1HSD17B3
SCHEMBL9545365 0.72 NOTUM (0.51) NOTUMCYP2D6CYP2C9CES1HSD17B3
SCHEMBL1048074 0.72 NOTUM (1.00) NOTUMCYP2D6CYP2C9CES1HSD17B3
SCHEMBL30003296 0.72 NOTUM (1.00) NOTUMCYP2D6CYP2C9CES1HSD17B3
SCHEMBL14726015 0.71 CYP2D6 (0.59) NOTUMCYP2D6CYP2C9HSD17B3POLB
SCHEMBL2335850 0.68 AMPD2 (0.44) CYP2D6CYP2C9HSD17B3POLBAMPD2
SCHEMBL68594 0.68 NOTUM (0.72) NOTUMCYP2D6CYP2C9HSD17B3KDM4E
Bicarbonate SCHEMBL22393229 0.68 ALOX15 (0.40) CYP2D6CYP2C9NPC1RAB9APOLB
SCHEMBL642025 0.67 NOTUM (0.70) NOTUMCYP2D6CYP2C9HSD17B3MAPT
SCHEMBL8293539 0.67 CYP2D6 (1.00) NOTUMCYP2D6CYP2C9HSD17B3ALDH1A1

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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 — — US disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 — — 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 NOTUM 2781/4885CYP2D6 4629/4885CYP2C9 4830/4885

“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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