SCHEMBL12424

SCHEMBL12424

COC1CCN(CCN2CCC[C@@H](C)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 11/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL12449684 1.00 KDM4E (0.44) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL13352 0.93 KDM4E (0.44) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL12915 0.93 KDM4E (0.44) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL13009 0.88 KDM4E (0.46) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL18082876 0.88 KDM4E (0.46) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL12815 0.88 KDM4E (0.46) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL12449677 0.83 KDM4E (0.50) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL12942 0.83 KDM4E (0.50) KDM4EKMT2AHRH3ALDH1A1LMNA
SCHEMBL13401 0.81 CYP1A2 (0.42) KMT2AHRH3ALDH1A1LMNAMAPT
SCHEMBL12666 0.81 KDM4E (0.49) KDM4EKMT2AHRH3ALDH1A1LMNA

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 1093/4885KMT2A 936/4885HRH3 571/4885

“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.