SCHEMBL84979

SCHEMBL84979

CC(C)CNc1cc(C(C)C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.52
MAPK14 Q16539 1/20 0.47
ESR1 P03372 6/20 0.46
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.37

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
SCHEMBL21078837 0.86 HRH4 (0.50) HRH4MAPK14ESR1HCAR3HCAR2
SCHEMBL8230145 0.84 ROCK2 (0.39) HRH4MAPK14HCAR3ALDH1A1SMN1; SMN2
SCHEMBL25997787 0.82 HRH4 (0.38) HRH4MAPK14FAAHKDM4EALDH1A1
SCHEMBL13524651 0.80 NOS2 (0.56) HRH4MAPK14ESR1KDM4EALDH1A1
SCHEMBL23251086 0.79 HTR7 (0.41) HRH4
SCHEMBL12015775 0.79 KDM4D (0.44) MAPK14KDM4EALDH1A1
SCHEMBL1588690 0.79 HRH4 (0.52) HRH4MAPK14ESR1HCAR3HCAR2
SCHEMBL1587747 0.79 HRH4 (0.52) HRH4MAPK14ESR1HCAR3HCAR2
SCHEMBL12015780 0.77 CYP2C19 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL8229631 0.77 NOS2 (0.65) MAPK14ESR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS HRH4 2437/4885MAPK14 484/4885ESR1 3153/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS HRH4 3096/4885MAPK14 218/4885ESR1 3775/4885

“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.