SCHEMBL24253756

SCHEMBL24253756

Nc1nc(Cl)cc(N[C@@H]2CCOC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
NUDT1 P36639 3/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
PIK3CA P42336 2/20 0.39
POLA1 P09884 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
MAT2A P31153 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL29047997 1.00 OPRK1 (0.46) OPRK1NUDT1CYP2D6CYP2C19MAPT
SCHEMBL30424176 1.00 OPRK1 (0.46) OPRK1NUDT1CYP2D6CYP2C19MAPT
SCHEMBL3199851 0.91 OPRK1 (0.51) OPRK1NUDT1CYP2D6CYP2C19MAPT
SCHEMBL15757238 0.82 OPRK1 (0.56) OPRK1NUDT1CYP2D6CYP2C19MAPT
SCHEMBL3727913 0.82 NUDT1 (0.46) NUDT1CYP2D6CYP2C19MAPTCYP1A2
SCHEMBL29047990 0.82 NUDT1 (0.42) OPRK1NUDT1PIK3CASMN1; SMN2HRH4
SCHEMBL24253757 0.82 NUDT1 (0.42) OPRK1NUDT1PIK3CASMN1; SMN2HRH4
SCHEMBL30423239 0.82 NUDT1 (0.42) OPRK1NUDT1PIK3CASMN1; SMN2HRH4
SCHEMBL13153722 0.80 NUDT1 (0.59) OPRK1NUDT1CYP2D6CYP2C19MAPT
SCHEMBL1316806 0.80 NUDT1 (0.64) OPRK1NUDT1CYP2D6CYP2C19POLA1

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 OPRK1 1303/4885NUDT1 1739/4885CYP2D6 29/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 OPRK1 1303/4885NUDT1 1739/4885CYP2D6 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.