SCHEMBL16249875

SCHEMBL16249875

CC(C)(C)OC(=O)N1CC2COCC(CN(C(=O)OCc3ccccc3)C2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ CTSL P07711 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
SCHEMBL16249887 0.88 MEN1 (0.51) PARP1MEN1KMT2ANPSR1PDE4B
SCHEMBL18049611 0.81 PARP1 (0.45) PARP1MEN1KMT2ANPSR1PDE4B
SCHEMBL14335085 0.79 MEN1 (0.58) MEN1KMT2ANPSR1PDE4BHTT
SCHEMBL30796847 0.78 MEN1 (0.50) PARP1MEN1KMT2ANPSR1PDE4B
SCHEMBL16237680 0.77 HTR2C (0.43) PARP1MEN1KMT2ANPSR1HTT
SCHEMBL16237769 0.76 HTR2C (0.48) PARP1MEN1KMT2ANPSR1HTT
SCHEMBL30993456 0.75 JAK2 (0.53) PARP1MEN1KMT2ANPSR1PDE4B
SCHEMBL31288410 0.75 JAK2 (0.53) PARP1MEN1KMT2ANPSR1PDE4B
SCHEMBL6095209 0.75 JAK2 (0.53) PARP1MEN1KMT2ANPSR1PDE4B
SCHEMBL15873216 0.75 PDE4B (0.52) PARP1KMT2APDE4BHTTSMN1; SMN2

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-9266904-B2 6-bridged heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-02-23 — — US disclosed
US-20140343032-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2014-11-20 — — 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-20140343032-A1 NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2D6, TPMT PARP1 1374/4885MEN1 3013/4885KMT2A 2735/4885

“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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