SCHEMBL22491355

SCHEMBL22491355

Cn1cc(C2CCN(C(=O)c3cc4c(cc3F)OCC(=O)N4)CC2)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
RORC P51449 11/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 2/20 0.38
SLC6A4 P31645 2/20 0.38
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
MLNR O43193 1/20 0.36
CACNA1F O60840 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
ABCB1 P08183 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL29734456 1.00 MGLL (0.40) MGLLRORCALDH1A1POLBSMN1; SMN2
SCHEMBL29734612 0.93 MGLL (0.40) MGLLRORCALDH1A1POLBSMN1; SMN2
SCHEMBL22491441 0.93 MGLL (0.40) MGLLRORCALDH1A1POLBSMN1; SMN2
SCHEMBL22491362 0.89 MAPT (0.41) MGLLRORCALDH1A1POLBSMN1; SMN2
SCHEMBL29734539 0.89 MAPT (0.41) MGLLRORCALDH1A1POLBSMN1; SMN2
SCHEMBL22797699 0.87 MGLL (0.49) MGLLALDH1A1TRPV1LMNAMAPT
SCHEMBL29734527 0.87 MGLL (0.49) MGLLALDH1A1TRPV1LMNAMAPT
SCHEMBL22491368 0.80 MGLL (0.49) MGLLALDH1A1TRPV1LMNAMAPT
SCHEMBL29734501 0.80 MGLL (0.49) MGLLALDH1A1TRPV1LMNAMAPT
SCHEMBL22491410 0.80 MGLL (0.55) MGLLLMNADRD2SLC6A4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US claimed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP claimed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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 (2 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY MGLL 1532/4885RORC 2663/4885ALDH1A1 231/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885RORC 2663/4885ALDH1A1 231/4885

“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.