SCHEMBL934401

SCHEMBL934401

Cc1cc(C)nc(NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
ACACB O00763 2/20 0.36
NAMPT P43490 6/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SSTR4 P31391 1/20 0.34
KDM1A O60341 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL934400 1.00 CYP3A4 (0.55) CYP3A4ACACBNAMPTCYP1A2POLB
SCHEMBL2688280 0.91 CYP3A4 (0.50) CYP3A4ACACBNAMPTKDM1ASIRT2
SCHEMBL2688278 0.91 CYP3A4 (0.50) CYP3A4ACACBNAMPTKDM1ASIRT2
SCHEMBL933953 0.83 CYP3A4 (0.47) CYP3A4KDM1ATSHR
SCHEMBL933954 0.83 CYP3A4 (0.47) CYP3A4KDM1ATSHR
SCHEMBL15229936 0.83 HCRTR1 (0.44) CYP3A4ACACBNAMPTKDM1ACYP2C9
SCHEMBL935329 0.82 HCRTR1 (0.39) CYP3A4
SCHEMBL935328 0.82 HCRTR1 (0.39) CYP3A4
SCHEMBL2686484 0.79 CYP3A4 (0.40) CYP3A4ACACBNAMPTKDM1A
SCHEMBL2686483 0.79 CYP3A4 (0.40) CYP3A4ACACBNAMPTKDM1A

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 11 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
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
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
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
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
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
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 516/4885ACACB 1658/4885NAMPT 1643/4885

“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.