SCHEMBL12992

SCHEMBL12992

COCCN(CCOC)CCN1CCC[C@@H](C)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HRH3 Q9Y5N1 13/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40
MAOB P27338 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 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
SCHEMBL12939 1.00 KDM4E (0.45) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL12654 0.86 KDM4E (0.44) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL12465 0.86 KDM4E (0.44) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL12837 0.83 KDM4E (0.55) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL12449658 0.83 KDM4E (0.55) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL12449655 0.83 KDM4E (0.55) KDM4EHRH3ALDH1A1LMNAKMT2A
SCHEMBL18082571 0.82 BCHE (0.37) KMT2A
SCHEMBL13052 0.80 HRH3 (0.56) KDM4EHRH3ALDH1A1MAOBHRH2
SCHEMBL12449633 0.80 HRH3 (0.56) KDM4EHRH3ALDH1A1MAOBHRH2
SCHEMBL12449644 0.80 HRH3 (0.56) KDM4EHRH3ALDH1A1MAOBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA KDM4E 1093/4885HRH3 571/4885ALDH1A1 3185/4885

“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.