SCHEMBL16305337

SCHEMBL16305337

COc1cc(N)ccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 1/20 0.47
▸ NR4A1 P22736 2/20 0.47
▸ ALDH1A1 P00352 9/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 6/20 0.40
▸ GAA P10253 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL10156824 0.89 ALDH1A1 (0.48) LGMNNR4A1ALDH1A1POLBKMT2A
SCHEMBL16440144 0.84 ALDH1A1 (0.43) LGMNALDH1A1POLBKMT2AMAPT
SCHEMBL25515887 0.83 HTR3E (0.46) LGMNALDH1A1POLBKMT2AMAPT
SCHEMBL15358685 0.82 NR4A1 (0.61) NR4A1ALDH1A1POLBKMT2AMAPT
SCHEMBL10036161 0.81 NR4A1 (0.50) NR4A1ALDH1A1POLBKMT2AMAPT
SCHEMBL31312869 0.81 MAPT (0.59) LGMNNR4A1ALDH1A1POLBKMT2A
SCHEMBL10127901 0.81 MAPT (0.59) LGMNNR4A1ALDH1A1POLBKMT2A
SCHEMBL16437256 0.81 ALDH1A1 (0.40) LGMNALDH1A1POLBKMT2AMAPT
SCHEMBL77893 0.81 GAA (0.61) LGMNNR4A1ALDH1A1MAPTGAA
SCHEMBL15244255 0.81 NR4A1 (0.47) NR4A1ALDH1A1POLBKMT2AMAPT

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 — — US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 — — 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 LGMN 3983/4885NR4A1 1959/4885ALDH1A1 1554/4885

“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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