SCHEMBL19533190

SCHEMBL19533190

Nc1ccc(N2CCC=C(N3CCOCC3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 3/20 0.45
▸ PIK3R1 P27986 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ MAPT P10636 7/20 0.41
▸ GAA P10253 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HTT P42858 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 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
SCHEMBL28298610 0.84 AKR1C3 (0.45) LGMNMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL20631 0.78 MAPT (0.61) LGMNPIK3R1PIK3CAMTORMAPT
SCHEMBL19533191 0.78 AKR1C3 (0.52) MAPTGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL20631313 0.77 LMNA (0.61) LGMNPIK3R1PIK3CAMTORMAPT
Hydrochloric Acid SCHEMBL16209945 0.77 MAPT (0.65) LGMNPIK3R1PIK3CAMTORMAPT
SCHEMBL14320289 0.73 PIK3R1 (0.59) LGMNPIK3R1PIK3CAMTORMAPT
SCHEMBL13370287 0.73 MAPT (0.50) LGMNPIK3R1PIK3CAMTORMAPT
SCHEMBL4386393 0.72 MAPT (0.64) LGMNPIK3R1PIK3CAMTORMAPT
SCHEMBL15731795 0.71 PIK3R1 (0.39) LGMNPIK3R1PIK3CAMTORMAPT
SCHEMBL19648927 0.69 MAPT (0.50) LGMNPIK3R1PIK3CAMTORMAPT

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
CN-111116553-B Preparation method of dihydropyridone derivatives 北京鑫开元医药科技有限公司 2022-02-08 — — CN claimed
CN-111116553-B Preparation method of dihydropyridone derivatives 北京鑫开元医药科技有限公司 2022-02-08 — — CN disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — 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-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, CYP4X1 LGMN 3988/4885PIK3R1 1804/4885PIK3CA 233/4885

“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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