SCHEMBL13077

SCHEMBL13077

CC(C)CCN1CCC[C@@H](C)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HTR7 P34969 9/20 0.44
HRH3 Q9Y5N1 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL13995508 1.00 KDM4E (0.50) KDM4EHTR7HRH3ALDH1A1LMNA
SCHEMBL12449634 1.00 KDM4E (0.50) KDM4EHTR7HRH3ALDH1A1LMNA
SCHEMBL761884 0.89 KDM4E (0.47) KDM4EHTR7HRH3
SCHEMBL10130232 0.88 CARM1 (0.41) KDM4EHTR7HRH3ALDH1A1
SCHEMBL10130262 0.88 CARM1 (0.41) KDM4EHTR7HRH3ALDH1A1
SCHEMBL439552 0.88 CARM1 (0.41) KDM4EHTR7HRH3ALDH1A1
SCHEMBL25844752 0.87 HRH3 (0.49) KDM4EHTR7HRH3
SCHEMBL24322756 0.82 KDM4E (0.45) KDM4EHTR7HRH3ALDH1A1LMNA
SCHEMBL24322383 0.82 KDM4E (0.45) KDM4EHTR7HRH3ALDH1A1LMNA
SCHEMBL24322393 0.82 KDM4E (0.45) KDM4EHTR7HRH3ALDH1A1LMNA

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 1093/4885HTR7 2256/4885HRH3 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.