SCHEMBL4046452

SCHEMBL4046452

CC(C)c1ccc2c(c1)COC21CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
KARS1 Q15046 2/20 0.33
SLC5A1 P13866 2/20 0.33
SLC5A2 P31639 2/20 0.33
TSHR P16473 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL4984094 0.99 SIGMAR1 (0.35) SIGMAR1HPGDGFERHSD17B10MEN1
SCHEMBL3745717 0.80 AVPR1A (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL4985671 0.79 AVPR1A (0.39) SIGMAR1
SCHEMBL1275908 0.77 HTR2C (0.47) SIGMAR1
SCHEMBL737193 0.77 DPP4 (0.42) SIGMAR1
SCHEMBL30508182 0.77 PNMT (0.41) SIGMAR1
SCHEMBL22067406 0.77 SMN1; SMN2 (0.33) HPGDGFERHSD17B10MEN1CYP3A4
Butane SCHEMBL8569562 0.75 AVPR1A (0.37) SIGMAR1
SCHEMBL12489240 0.75 FASN (0.46) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30281160 0.75 FASN (0.46) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 EP disclosed
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 EP disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2006-08-03 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-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, CRHR1 SIGMAR1 71/4885HPGD 1805/4885GFER 4366/4885

“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.