SCHEMBL3104665

SCHEMBL3104665

Cc1nn(C)c(C)c1-c1cc(C=O)c(C)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ ERN1 O75460 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE2A O00408 4/20 0.33
▸ PDE10A Q9Y233 4/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ HTR7 P34969 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ GRK5 P34947 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ BRD4 O60885 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
SCHEMBL3101765 0.73 ERN1 (0.56) CREBBPERN1ALDH1A1BRD4BRD2
SCHEMBL3101192 0.67 ERN1 (0.49) CREBBPERN1BRD4
SCHEMBL8654694 0.65 ERN1 (0.35) ERN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3099337 0.65 ERN1 (0.44) POLBERN1ALDH1A1GAASMN1; SMN2
SCHEMBL3095701 0.65 BRD4 (0.39) HTR7HTR1ABRD4
SCHEMBL3104360 0.65 HTR1A (0.31) HTR7HTR1ABRD4
SCHEMBL3104199 0.64 DDAH1 (0.46) ERN1ALDH1A1GAASMN1; SMN2NPC1
SCHEMBL8656101 0.64 ALDH1A1 (0.33) ERN1ALDH1A1
SCHEMBL3104461 0.62 CYP1A1 (0.42) ERN1PDE2APDE10A
SCHEMBL766908 0.62 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 — — EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 — — US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 — — US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 — — EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR POLB 4758/4885CREBBP 396/4885ERN1 1620/4885

“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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