SCHEMBL933950

SCHEMBL933950

Cc1cc(C)nc(NCC2CC3(CC3)CN2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALPL P05186 1/20 0.33
ALPG P10696 1/20 0.33
PLAA Q9Y263 1/20 0.33
VCP P55072 5/20 0.32
ATM Q13315 1/20 0.32
IL1B P01584 2/20 0.31
LMNA P02545 3/20 0.30

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
SCHEMBL933948 1.00 CYP3A4 (0.39) CYP3A4KMT2AMAPK1MEN1GAA
SCHEMBL16530797 0.87 CYP3A4 (0.39) CYP3A4KMT2AMAPK1MEN1GAA
SCHEMBL16530794 0.87 CYP3A4 (0.39) CYP3A4KMT2AMAPK1MEN1GAA
SCHEMBL15230074 0.78 KMT2A (0.36) CYP3A4KMT2AMAPK1MEN1GAA
SCHEMBL933692 0.77 RAB9A (0.40) KMT2AMAPK1MEN1KDM4EIL1B
SCHEMBL933694 0.77 RAB9A (0.40) KMT2AMAPK1MEN1KDM4EIL1B
SCHEMBL934623 0.74 MAPK1 (0.32) MAPK1
SCHEMBL16531574 0.72 HRH4 (0.36) KMT2AMAPK1KDM4ELMNA
SCHEMBL3390358 0.70 KMT2A (0.38) KMT2AMAPK1MEN1GAAKDM4E
SCHEMBL9899569 0.70 KMT2A (0.38) KMT2AMAPK1MEN1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454252-B1 Spiro amino compounds suitable for the treatment of (inter alia) sleep disorders and drug addiction Rottapharm Biotech Srl (IT) 2015-03-04 EP disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
EP-2454252-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION Rottapharm S.p.A. (IT) 2012-05-23 EP disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
WO-2011006960-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM S.P.A. (IT) 2011-01-20 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-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 CYP3A4 516/4885KMT2A 108/4885MAPK1 3332/4885

“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.