SCHEMBL4099306

SCHEMBL4099306

CC(C)CC(C(N)=O)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.54
▸ HTR2C P28335 2/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ GPR84 Q9NQS5 3/20 0.50
▸ FFAR1 O14842 2/20 0.50
▸ ECE1 P42892 2/20 0.48
▸ CTSK P43235 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MGAM O43451 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ SI P14410 3/20 0.46
▸ MGAM2 Q2M2H8 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL1972827 0.85 GPR84 (0.59) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL4001528 0.80 GPR84 (0.57) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL29053760 0.79 GPR84 (0.56) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL31641958 0.78 HTR2A (0.51) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL6455579 0.78 MEN1 (0.80) KMT2AMEN1MAPTPKMGPR84
SCHEMBL31642540 0.78 HTR2A (0.51) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL18856896 0.77 HTR2A (0.70) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL27586464 0.77 ALDH1A1 (0.56) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL7826468 0.77 HTR2A (0.65) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL8795676 0.77 GPR84 (0.53) HTR2AHTR2CHTR2BKMT2AMEN1

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-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 — — US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR2A 12/4885HTR2C 16/4885HTR2B 47/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR2A 12/4885HTR2C 16/4885HTR2B 47/4885

“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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