SCHEMBL12311

SCHEMBL12311

COC1CN(Cc2ccc(C)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.51
S1PR5 Q9H228 1/20 0.51
LTA4H P09960 2/20 0.51
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
GBA1 P04062 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
TMEM97 Q5BJF2 3/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL18082551 0.86 LTA4H (0.55) LTA4HLMNAPOLBALDH1A1MEN1
SCHEMBL13285981 0.84 SIGMAR1 (0.62) LTA4HLMNAPOLBALDH1A1DRD4
SCHEMBL28369901 0.84 LTA4H (0.50) S1PR1S1PR5LTA4HGBA1SIGMAR1
SCHEMBL18491559 0.84 LTA4H (0.50) LTA4HPOLBALDH1A1MEN1KMT2A
SCHEMBL27786435 0.83 LTA4H (0.56) S1PR1S1PR5LTA4HLMNAPOLB
SCHEMBL12082512 0.82 ALDH1A1 (0.56) LTA4HLMNAPOLBALDH1A1MEN1
SCHEMBL2919409 0.81 S1PR1 (0.48) S1PR1S1PR5LTA4HLMNAPOLB
SCHEMBL12449596 0.81 LTA4H (0.48) S1PR1S1PR5LTA4HALDH1A1SIGMAR1
SCHEMBL21092816 0.81 LTA4H (0.48) S1PR1S1PR5LTA4HALDH1A1MEN1
SCHEMBL1936810 0.81 NCF1 (0.57) LTA4HMEN1KMT2AHRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 S1PR1 577/4885S1PR5 883/4885LTA4H 313/4885

“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.