Sugi Predict

Sugi Predict / Compounds / SCHEMBL24253946

SCHEMBL24253946

SCHEMBL24253946

Nc1nc(N2CCC3(CCCC(=O)N3c3ccc(F)c(F)c3)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.32
▸ TPH1 P17752 2/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LTC4S Q16873 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ USP2 O75604 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
SCHEMBL30006991 1.00 KDM4E (0.32) KDM4ETPH1DRD2DRD3HTR1A
SCHEMBL30006004 0.93 HRH4 (0.32) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253737 0.93 HCRTR1 (0.33) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253889 0.93 HRH4 (0.32) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253746 0.91 TPH1 (0.32) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253952 0.89 MAPT (0.34) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL30423245 0.87 MAPT (0.40) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253552 0.87 MAPT (0.40) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253948 0.86 HCRTR1 (0.34) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL24253953 0.86 FFAR4 (0.34) DRD2DRD3HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932630-B2 Heteroaryl aminopropanol derivatives NOVARTIS AG (CH) 2024-03-19 — — US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 — — US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 — — US disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 — — CN disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 — — 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 (3 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-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 KDM4E 2714/4885TPH1 3142/4885DRD2 873/4885
US-11932630-B2 Heteroaryl aminopropanol derivatives CYP3A43, CYP11B2, ADRB3 KDM4E 3053/4885TPH1 840/4885DRD2 1047/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 KDM4E 2714/4885TPH1 3142/4885DRD2 873/4885

“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.