SCHEMBL17438673

SCHEMBL17438673

CCOC(=O)C=C1CCC(c2ccc(F)s2)(N(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
RECQL P46063 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.33
CASP1 P29466 1/20 0.33
SPR P35270 1/20 0.33
KCNN4 O15554 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
OPRM1 P35372 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL17438643 0.82 OPRM1 (0.46) ESR2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL17438590 0.76 OPRM1 (0.52) ESR2L3MBTL1OPRM1
SCHEMBL16321630 0.72 ESR2 (0.48) ESR2HSD17B10KDM4EHPGDRECQL
SCHEMBL3411088 0.71 OPRM1 (0.41) ESR2HSD17B10KDM4EHPGDRECQL
SCHEMBL15798242 0.70 ESR2 (0.49) ESR2HSD17B10KDM4EHPGDRECQL
SCHEMBL2502784 0.69
SCHEMBL24791077 0.68 ESR2 (0.47) ESR2HSD17B10KDM4EHPGDRECQL
SCHEMBL1668850 0.66 ESR2 (0.54) ESR2HSD17B10KDM4EHPGDRECQL
SCHEMBL905258 0.66 ESR2 (0.54) ESR2HSD17B10KDM4EHPGDRECQL
SCHEMBL17438718 0.66 ESR2 (0.46) ESR2HSD17B10KDM4EHPGDRECQL

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-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 ESR2 422/4885HSD17B10 3537/4885KDM4E 2609/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 ESR2 422/4885HSD17B10 3537/4885KDM4E 2609/4885

“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.