SCHEMBL2936054

SCHEMBL2936054

CSCCC1NC2(CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)N(CC(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SMO Q99835 3/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
GPR183 P32249 1/20 0.33
CACNA1B Q00975 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
RBP4 P02753 3/20 0.33
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1800374 0.85 SCD (0.38) SCDHCRTR1HCRTR2SMOPSEN1
SCHEMBL2943403 0.85 CYP2C19 (0.44) SCDHCRTR1HCRTR2SMOPSEN1
SCHEMBL2943345 0.82 MEN1 (0.40) GPR183CYP3A4CYP2C9CYP2C19
SCHEMBL2938884 0.79 HTT (0.43) MAPT
SCHEMBL2934155 0.78 CHRM2 (0.47) HCRTR1HCRTR2
SCHEMBL2936852 0.78 HRH3 (0.44) CACNA1BHTR2B
SCHEMBL2942272 0.78 GAA (0.40) CYP2C9CYP2C19
SCHEMBL2943359 0.78 HPGD (0.41)
SCHEMBL1800583 0.78 CYP2C9 (0.39) SCDPSEN1PSEN2APH1BNCSTN
SCHEMBL2935425 0.77 GPR6 (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 SCD 554/4885HCRTR1 1075/4885HCRTR2 983/4885

“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.