SCHEMBL22722515

SCHEMBL22722515

COCCOc1cc(C(=O)N2C[C@H]3[C@@H]4CN(C(=O)c5ccc6[nH]nnc6c5)C[C@@H]4[C@@]3(C)C2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ATXN2 Q99700 1/20 0.33
▸ PDK2 Q15119 1/20 0.33

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
SCHEMBL16759921 0.92 KDM4E (0.38) SCN9AKDM4EHTTKMT2ASCN10A
SCHEMBL22910813 0.84 PDK2 (0.36) HPGDENPP2ATXN2PDK2
SCHEMBL22910815 0.83 NR1H4 (0.32) SCN9ASCN10AENPP2ATXN2
SCHEMBL22910814 0.81 P2RY12 (0.39) HPGDPDK2
SCHEMBL16759842 0.81 P2RY12 (0.39) HPGDPDK2
SCHEMBL16759901 0.80 SCN9A (0.34) SCN9AKMT2ASCN10AATXN2
SCHEMBL22910817 0.80 SCN9A (0.34) SCN9AKMT2ASCN10AATXN2
SCHEMBL16759959 0.79 SCN9A (0.37) SCN9AHTTKMT2ASCN10ANAMPT
SCHEMBL22911021 0.78 PDK2 (0.36) PDK2
SCHEMBL22911087 0.77 ENPP2 (0.36) KMT2ANAMPTENPP2ATXN2

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 SCN9A 4020/4885KDM4E 1515/4885HTT 2425/4885

“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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