SCHEMBL13485118

SCHEMBL13485118

COc1ccnc2c1CC(C)N2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.39
▸ ADRA1A P35348 5/20 0.38
▸ ACHE P22303 2/20 0.36
▸ HTR2A P28223 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ NCF1 P14598 1/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL25425630 0.76 NNMT (0.47) NNMTHTR2AADRA2AKMT2A
SCHEMBL25425626 0.76 NNMT (0.47) NNMTHTR2AADRA2AKMT2A
SCHEMBL13507512 0.73 NNMT (0.42) NNMT
SCHEMBL28923994 0.69 CREBBP (0.52) ACHECREBBPCHRM2CHRM1CHRM3
SCHEMBL20597761 0.67 RAF1 (0.43) CYP19A1GAA
Hydrochloric Acid SCHEMBL30550489 0.67 PARP1 (0.42) ADRA1AADRA2ACHRNB4CHRNA3
SCHEMBL23075156 0.65 KDM4E (0.42) ADRA1AACHEADRA2ACYP19A1CHRM2
SCHEMBL279883 0.65 TSHR (0.44) NNMTADRA1ACREBBPTSHR
SCHEMBL20747328 0.64 ACHE (0.41) ACHEGAA
SCHEMBL30101393 0.63 NCF1 (0.34) ADRA1AHTR2AADRA2ANCF1

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-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 — — US disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 — — 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-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction GPR119, INMT, PNLIP NNMT 51/4885ADRA1A 1988/4885ACHE 50/4885

“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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