SCHEMBL4547534

SCHEMBL4547534

Cc1cccc(NCC2CCCCN2C(=O)c2nc(C)sc2-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.65
HCRTR2 O43614 19/20 0.65
CYP3A4 P08684 1/20 0.53
TSPO P30536 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL4547533 0.92 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL954049 0.88 CYP3A4 (0.61) HCRTR1HCRTR2CYP3A4
SCHEMBL951140 0.88 CYP3A4 (0.62) HCRTR1HCRTR2CYP3A4
SCHEMBL933952 0.86 CYP3A4 (0.62) HCRTR1HCRTR2CYP3A4
SCHEMBL933525 0.86 CYP3A4 (0.62) HCRTR1HCRTR2CYP3A4
SCHEMBL934041 0.86 CYP3A4 (0.67) HCRTR1HCRTR2CYP3A4
SCHEMBL935046 0.86 CYP3A4 (0.67) HCRTR1HCRTR2CYP3A4
SCHEMBL934043 0.86 CYP3A4 (0.67) HCRTR1HCRTR2CYP3A4
SCHEMBL4547536 0.84 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL6868061 0.83 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 HCRTR1 15/4885HCRTR2 55/4885CYP3A4 516/4885

“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.