SCHEMBL2943403

SCHEMBL2943403

O=C(O)CN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)c1cc(F)ccc1C(F)(F)F)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
MAPK14 Q16539 2/20 0.44
HTR2B P41595 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.39
SCD O00767 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL1799842 0.89 CYP2C9 (0.42) CYP2C19CYP2C9MAPK14HTR2BCYP46A1
SCHEMBL2936054 0.85 SCD (0.39) CYP2C19CYP2C9MAPK14HTR2BSCD
SCHEMBL1800950 0.84 CYP2C19 (0.42) CYP2C19CYP2C9MAPK14HTR2BCYP46A1
SCHEMBL2934172 0.84 CYP2C9 (0.53) CYP2C19CYP2C9MAPK14HTR2BMEN1
SCHEMBL5668948 0.82 CYP2C19 (0.46) CYP2C19CYP2C9MAPK14HTR2BCYP46A1
SCHEMBL2941843 0.81 CYP2C9 (0.45) CYP2C19CYP2C9MAPK14HTR2BTACR1
SCHEMBL2942520 0.81 CYP3A4 (0.58) CYP2C19CYP3A4GAATACR1USP2
SCHEMBL1798636 0.80 CYP2C19 (0.42) CYP2C19CYP2C9MAPK14HTR2BCYP3A4
SCHEMBL2942498 0.79 AVPR1A (0.53) CYP2C9MEN1KMT2ATACR1
SCHEMBL1799915 0.79 GPR183 (0.43) CYP2C19CYP2C9MAPK14HTR2BMEN1

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 CYP2C19 295/4885CYP2C9 429/4885MAPK14 3136/4885

“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.