SCHEMBL22910814

SCHEMBL22910814

COCCOc1cc(C(=O)N2CC3C(C2)[C@@H]2CN(C(=O)c4ccc5[nH]nnc5c4)C[C@H]32)nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 8/20 0.39
▸ ALOX15 P16050 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ MGLL Q99685 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL16759842 1.00 P2RY12 (0.39) P2RY12ALOX15RAB9APDK2MGLL
SCHEMBL22910813 0.91 PDK2 (0.36) P2RY12ALOX15RAB9APDK2MGLL
SCHEMBL22911093 0.91 MGLL (0.43) P2RY12ALOX15MGLLNPC1
SCHEMBL16759905 0.91 MGLL (0.43) P2RY12ALOX15MGLLNPC1
SCHEMBL22910869 0.90 ALOX15 (0.47) P2RY12ALOX15MGLLHPGDROCK2
SCHEMBL16759873 0.90 ALOX15 (0.47) P2RY12ALOX15MGLLHPGDROCK2
SCHEMBL16759906 0.89 TTK (0.36) RAB9APDK2MGLLHPGDROCK2
SCHEMBL22911018 0.89 TTK (0.36) RAB9APDK2MGLLHPGDROCK2
SCHEMBL22911080 0.88 FASN (0.37) RAB9APDK2HPGDNPC1
SCHEMBL16759899 0.88 FASN (0.37) RAB9APDK2HPGDNPC1

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 P2RY12 2685/4885ALOX15 1905/4885RAB9A 3807/4885

“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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