SCHEMBL11979735

SCHEMBL11979735

CN1C(=O)C2(CC(=O)NC2=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAD52 P43351 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL8805326 0.83 AKR1B1 (0.67) AKR1B1
SCHEMBL4390579 0.81 AKR1B1 (0.44) AKR1B1
SCHEMBL11980499 0.80 MAPT (0.44) AKR1B1KDM4EMAPTHCRTR1LMNA
SCHEMBL10975404 0.74 MAPT (0.51) MAPT
SCHEMBL10978203 0.73 SCN9A (0.54) MAPTALDH1A1
SCHEMBL10975222 0.72 AKR1B1 (0.53) AKR1B1
SCHEMBL11980232 0.71 OPRM1 (0.45) AKR1B1KDM4EMAPTHCRTR1LMNA
SCHEMBL12314572 0.71 SCN9A (0.48) KDM4EMAPTHCRTR1LMNARAD52
SCHEMBL15314943 0.71 SCN9A (0.48) KDM4EMAPTHCRTR1LMNARAD52
SCHEMBL9384403 0.71 AKR1B1 (0.57) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236963-B2 Tricyclic spiro derivatives as CRTH2 modulators MERCK SERONO SA (CH) 2012-08-07 — — US disclosed
US-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators LABORATOIRES SERONO S.A. (CH) 2009-12-24 — — 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-20090318486-A1 Tricyclic spiro derivatives as CRTH2 modulators RORB, NR3C2, NR1H2 AKR1B1 109/4885KDM4E 4406/4885MAPT 4072/4885

“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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