SCHEMBL933953

SCHEMBL933953

Cc1cccc(NCC2CC3(CC3)CN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GRM5 P41594 3/20 0.38
PRMT5 O14744 1/20 0.38
HCRTR1 O43613 3/20 0.37
KDM1A O60341 1/20 0.36
HCRTR2 O43614 1/20 0.36
TGM2 P21980 1/20 0.36
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR1 P34998 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL933954 1.00 CYP3A4 (0.47) CYP3A4JAK2JAK1GRM5PRMT5
SCHEMBL16531444 0.91 CYP3A4 (0.43) CYP3A4JAK2JAK1GRM5PRMT5
SCHEMBL933172 0.91 CYP3A4 (0.43) CYP3A4JAK2JAK1GRM5PRMT5
SCHEMBL933970 0.87 PRMT5 (0.41) CYP3A4JAK2JAK1GRM5PRMT5
SCHEMBL934269 0.85 CYP3A4 (0.40) CYP3A4JAK2JAK1GRM5PRMT5
SCHEMBL934401 0.83 CYP3A4 (0.55) CYP3A4KDM1ATSHR
SCHEMBL934400 0.83 CYP3A4 (0.55) CYP3A4KDM1ATSHR
SCHEMBL992222 0.81 CYP3A4 (0.45) CYP3A4PRMT5HCRTR1HCRTR2TSHR
SCHEMBL935146 0.81 CYP3A4 (0.45) CYP3A4PRMT5HCRTR1HCRTR2TSHR
SCHEMBL16530450 0.80 KDM1A (0.41) CYP3A4PRMT5KDM1APARP1TSHR

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 516/4885JAK2 485/4885JAK1 577/4885

“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.