SCHEMBL282691

SCHEMBL282691

COc1cc(N(Cc2ccccc2)C(=O)O)ccc1C1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 6/20 0.48
▸ CHRM3 P20309 6/20 0.48
▸ CHRM5 P08912 3/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ PKM P14618 1/20 0.44
▸ CHRM2 P08172 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ ACHE P22303 2/20 0.42
▸ QPCT Q16769 1/20 0.42
▸ DRD2 P14416 1/20 0.41

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
SCHEMBL283762 0.86 HTR2C (0.50) CHRM1CHRM3MEN1KMT2ACHRM2
SCHEMBL8901933 0.72 NOS1 (0.54) —
SCHEMBL14136432 0.71 MEN1 (0.50) MEN1KMT2AMAPK1DRD2
SCHEMBL16293191 0.71 DRD4 (0.50) MEN1KMT2A
SCHEMBL2182332 0.70 MAOA (0.46) MEN1KMT2APKMDRD2
SCHEMBL824153 0.70 DRD2 (0.69) MEN1KMT2ADRD2
SCHEMBL6710920 0.70 ALDH1A1 (0.56) CHRM1MEN1KMT2ACHRM2NPC1
SCHEMBL24123872 0.69 QDPR (0.50) MEN1KMT2AACHEDRD2
SCHEMBL14174295 0.68 TSPO (0.59) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL22062939 0.68 MEN1 (0.51) MEN1KMT2ADRD2

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
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 — — EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CHRM1 3675/4885CHRM3 3297/4885CHRM5 3377/4885

“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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