SCHEMBL22911158

SCHEMBL22911158

O=C(c1ccc2[nH]nnc2c1)N1C[C@@H]2C3CN(C(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3(O)[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.38
▸ ATXN2 Q99700 6/20 0.38
▸ GPR183 P32249 3/20 0.38
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ SLC6A7 Q99884 3/20 0.36
▸ LSS P48449 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTR2B P41595 1/20 0.34

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
SCHEMBL22911171 0.92 MGLL (0.37) ENPP2ATXN2GPR183CCNCCDK8
SCHEMBL22911064 0.91 PAX8 (0.41) SLC6A7HTR2B
SCHEMBL22911164 0.88 CCNC (0.41) ENPP2ATXN2GPR183CCNCCDK8
SCHEMBL16759896 0.88 CCNC (0.41) ENPP2ATXN2GPR183CCNCCDK8
SCHEMBL22911068 0.87 ENPP2 (0.55) ENPP2ATXN2GPR183
SCHEMBL22911010 0.86 ENPP2 (0.39) ENPP2ATXN2GPR183CCNCCDK8
SCHEMBL22911141 0.86 HTR2B (0.40) MGLLHPGDHTR2B
SCHEMBL22910791 0.85 HTR2B (0.39) MGLLHPGDHTR2B
SCHEMBL21323113 0.84 SLC6A7 (0.47) ENPP2ATXN2CCNCCDK8MGLL
SCHEMBL16962831 0.84 SLC6A7 (0.47) ENPP2ATXN2CCNCCDK8MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 — — 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 (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-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ENPP2 2448/4885ATXN2 1316/4885GPR183 996/4885

“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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