SCHEMBL18464186

SCHEMBL18464186

O=C(NC1CCN(C(=O)CCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]nnc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 12/20 0.60
▸ ATXN2 Q99700 6/20 0.60
▸ KCNH2 Q12809 1/20 0.44
▸ PARP1 P09874 3/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ C3AR1 Q16581 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ DRD4 P21917 1/20 0.40

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
SCHEMBL15551709 0.89 ENPP2 (0.78) ENPP2ATXN2KCNH2
SCHEMBL18464187 0.85 ENPP2 (0.63) ENPP2ATXN2KCNH2
SCHEMBL18464309 0.84 ENPP2 (0.60) ENPP2ATXN2PARP1ROCK2ROCK1
SCHEMBL118338 0.82 ENPP2 (0.52) ENPP2ATXN2
SCHEMBL16252473 0.81 ENPP2 (0.57) ENPP2ATXN2KCNH2
SCHEMBL16252471 0.80 ENPP2 (0.47) ENPP2ATXN2DRD4
SCHEMBL21323059 0.79 ENPP2 (0.52) ENPP2ATXN2KCNH2
SCHEMBL16962855 0.79 ENPP2 (0.52) ENPP2ATXN2KCNH2
SCHEMBL15552088 0.78 ENPP2 (0.77) ENPP2ATXN2
SCHEMBL146674 0.78 SLC6A5 (0.50) ENPP2ATXN2DRD4

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
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 — — US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 — — US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 — — 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 (3 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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 500/4885KCNH2 3381/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 280/4885KCNH2 3175/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 500/4885KCNH2 3381/4885

“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.

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