SCHEMBL6405239

SCHEMBL6405239

COC(=O)c1ccc2c(c1)C(N1CCN(C)CC1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.55
MTNR1A P48039 5/20 0.46
HTR2C P28335 3/20 0.45
DRD3 P35462 2/20 0.44
HTR1A P08908 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL29407150 0.90 MTNR1B (0.47) MTNR1BHTR2CDRD3HTR1AHSP90AA1
SCHEMBL28686740 0.90 MTNR1B (0.47) MTNR1BHTR2CDRD3HTR1AHSP90AA1
SCHEMBL6405601 0.87 CTSS (0.52) MTNR1BHTR2CDRD3HTR1ACNR1
SCHEMBL6404873 0.86 MTNR1B (0.52) MTNR1BMTNR1AHTR2CDRD3HTR1A
SCHEMBL2261060 0.86 MTNR1B (0.53) MTNR1BMTNR1ACNR1CNR2
SCHEMBL22411069 0.85 MTNR1B (0.51) MTNR1BMTNR1AHTR2CDRD3HTR1A
SCHEMBL2573314 0.82 MTNR1B (0.46) MTNR1BMTNR1A
SCHEMBL6405961 0.82 HPGD (0.46) MTNR1BMTNR1A
SCHEMBL27984354 0.80 ALDH1A1 (0.51) MTNR1BHSP90AA1HSP90AB1ALOX15HSD17B10
SCHEMBL6405838 0.79 MTNR1B (0.58) MTNR1BMTNR1A

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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 WO disclosed
US-20050250820-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2005-11-10 US disclosed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 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 (2 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D MTNR1B 63/4885MTNR1A 113/4885HTR2C 8/4885
US-20050250820-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD MTNR1B 329/4885MTNR1A 210/4885HTR2C 3448/4885

“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.