Sugi Predict

Sugi Predict / Compounds / SCHEMBL24253552

SCHEMBL24253552

SCHEMBL24253552

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LTC4S Q16873 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL30423245 1.00 MAPT (0.40) MAPTCYP1A2CYP2D6KMT2ALMNA
SCHEMBL30006991 0.87 KDM4E (0.32) MAPTCYP1A2LMNAHTTSMN1; SMN2
SCHEMBL24253946 0.87 KDM4E (0.32) MAPTCYP1A2LMNAHTTSMN1; SMN2
SCHEMBL30006004 0.85 HRH4 (0.32) SMN1; SMN2FFAR1FFAR4HCRTR1HCRTR2
SCHEMBL24253732 0.85 USP2 (0.40) LMNAHTTHTR1AHRH4
SCHEMBL24253737 0.85 HCRTR1 (0.33) FFAR1FFAR4HCRTR1HCRTR2KCNH2
SCHEMBL24253889 0.85 HRH4 (0.32) SMN1; SMN2FFAR1FFAR4HCRTR1HCRTR2
SCHEMBL30423985 0.84 HCRTR1 (0.35) MAPTHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253866 0.84 HCRTR1 (0.35) MAPTHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253746 0.83 TPH1 (0.32) HCRTR1HCRTR2KCNH2LTC4STPH1

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
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 (2 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 MAPT 4450/4885CYP1A2 85/4885CYP2D6 29/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 MAPT 4450/4885CYP1A2 85/4885CYP2D6 29/4885

“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.