SCHEMBL21904060

SCHEMBL21904060

Nc1ccc2c(c1)NC(=O)C21CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRD1 P41143 1/20 0.46
SIGMAR1 Q99720 5/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR1A P08908 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45
HTR6 P50406 4/20 0.45
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 1/20 0.43
IP6K1 Q92551 1/20 0.43

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
SCHEMBL30468493 1.00 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL21904386 0.86 OPRM1 (0.45) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL30468565 0.86 OPRM1 (0.45) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL19235383 0.86 HTR2A (0.48) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL4952229 0.85 OPRL1 (0.60) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL19235384 0.80 IP6K1 (0.61) SIGMAR1HTR1AHTR2AHTR7HTR6
SCHEMBL29819854 0.79 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL19235263 0.79 HTR2A (0.51) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL15650027 0.79 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL19235307 0.79 IP6K1 (0.49) OPRL1OPRM1OPRK1OPRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638227-B1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2022-08-10 EP disclosed
US-11052076-B2 Spirocyclic indolines as IL-17 modulators UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators UCB Biopharma SRL (BE) 2020-05-07 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-11052076-B2 Spirocyclic indolines as IL-17 modulators IL17A, IL2, IL18 OPRL1 1756/4885OPRM1 2128/4885OPRK1 531/4885
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators IL17A, IL2, IL18 OPRL1 1756/4885OPRM1 2128/4885OPRK1 531/4885

“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.