SCHEMBL22722513

SCHEMBL22722513

CCOc1cc(C(=O)N2C[C@@H]3[C@H]4CN(C(=O)c5ccc6c(c5)NNN6)C[C@H]4[C@@H]3C2)nc2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ PROKR1 Q8TCW9 5/20 0.38
▸ F10 P00742 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.35
▸ PAK4 O96013 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ ATXN2 Q99700 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TP53 P04637 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
SCHEMBL22910555 0.87 SCN9A (0.38) ALDH1A1SMN1; SMN2
SCHEMBL22910584 0.85 KDM4E (0.38) HPGDKDM4EALDH1A1LMNACASP1
SCHEMBL16759781 0.85 KDM4E (0.38) HPGDKDM4EALDH1A1LMNACASP1
SCHEMBL16759870 0.78 CASP1 (0.38) CASP1HSD17B10MGLLPROKR1HRH4
SCHEMBL22911090 0.78 CASP1 (0.38) CASP1HSD17B10MGLLPROKR1HRH4
SCHEMBL22911093 0.73 MGLL (0.43) KDM4ELMNAMGLLALOX15
SCHEMBL16759905 0.73 MGLL (0.43) KDM4ELMNAMGLLALOX15
SCHEMBL22722502 0.73 P2RY12 (0.41) HPGDKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL16759959 0.73 SCN9A (0.37) ALDH1A1SMN1; SMN2
SCHEMBL20515862 0.72 TSHR (0.48) HPGDKDM4EALDH1A1CASP7SMN1; SMN2

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-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 — — 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-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 HPGD 4077/4885KDM4E 1515/4885ALDH1A1 583/4885

“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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