SCHEMBL17447692

SCHEMBL17447692

CCCC(C)(C)C(=O)NCCCO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
PTGS1 P23219 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX1 P07099 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAAA Q02083 1/20 0.39
ACHE P22303 7/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17447490 0.88 CNR1 (0.58) CNR1DRD2DRD4EPHX1TDP1
SCHEMBL24678335 0.85 CNR1 (0.55) CNR1DRD2DRD4EPHX1NAAA
SCHEMBL19169702 0.85 CNR1 (0.44) CNR1DRD2DRD4PTGS1KCNH2
SCHEMBL17447509 0.84 PTGS1 (0.46) CNR1DRD2DRD4PTGS1KCNH2
SCHEMBL18876819 0.84 CNR1 (0.45) CNR1DRD2DRD4EPHX1TDP1
SCHEMBL14134826 0.83 EPHX1 (0.50) CNR1DRD2DRD4EPHX1TDP1
SCHEMBL21976540 0.82 PTGS1 (0.47) CNR1PTGS1KCNH2EPHX1TDP1
SCHEMBL19966857 0.81 CNR1 (0.63) CNR1DRD2DRD4EPHX1MEN1
SCHEMBL19509788 0.80 CNR1 (0.50) CNR1DRD2DRD4EPHX1TDP1
SCHEMBL17447538 0.78 CNR1 (0.42) CNR1DRD2DRD4EPHX1TDP1

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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO 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 (1 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 CNR1 45/4885DRD2 414/4885DRD4 401/4885

“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.