SCHEMBL992222

SCHEMBL992222

CC(C)(C)OC(=O)N1CC2(CC2)CC1CNc1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
HCRTR1 O43613 12/20 0.44
TDP1 Q9NUW8 1/20 0.38
PRMT5 O14744 1/20 0.37
HCRTR2 O43614 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL935146 1.00 CYP3A4 (0.45) CYP3A4HCRTR1TDP1PRMT5HCRTR2
SCHEMBL11897208 0.91 HCRTR1 (0.47) CYP3A4HCRTR1PRMT5HCRTR2
SCHEMBL2686272 0.91 HCRTR1 (0.47) CYP3A4HCRTR1PRMT5HCRTR2
SCHEMBL935328 0.88 HCRTR1 (0.39) CYP3A4HCRTR1HCRTR2
SCHEMBL935329 0.88 HCRTR1 (0.39) CYP3A4HCRTR1HCRTR2
SCHEMBL933562 0.87 HCRTR1 (0.46) CYP3A4HCRTR1PRMT5HCRTR2
SCHEMBL1032870 0.85 HCRTR1 (0.43) CYP3A4HCRTR1PRMT5HCRTR2
SCHEMBL15229283 0.84 HCRTR1 (0.58) HCRTR1PRMT5HCRTR2
SCHEMBL933953 0.81 CYP3A4 (0.47) CYP3A4HCRTR1PRMT5HCRTR2TSHR
SCHEMBL933954 0.81 CYP3A4 (0.47) CYP3A4HCRTR1PRMT5HCRTR2TSHR

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 516/4885HCRTR1 15/4885TDP1 2830/4885

“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.