SCHEMBL4959265

SCHEMBL4959265

CN1CC(CO)Oc2ncccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LTA4H P09960 4/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP2A6 P11509 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
SCHEMBL29933799 0.78 NISCH (0.38) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14071760 0.78 LTA4H (0.45) LTA4H
SCHEMBL14463199 0.78 PTGIR (0.35) LTA4H
SCHEMBL14071761 0.77 HTR1A (0.41)
SCHEMBL14081142 0.77 CASR (0.43) NISCHLTA4H
SCHEMBL1689633 0.76 CASR (0.49) NISCHSIRT1
SCHEMBL6102026 0.76 CASR (0.49) NISCHSIRT1
SCHEMBL731248 0.76 CASR (0.49) NISCHSIRT1
SCHEMBL31343769 0.74 GRM2 (0.42) SIRT1
SCHEMBL6099722 0.73 NISCH (0.50) NISCHMAOAMAOBSIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423048-B2 Compounds for treating fundic disaccomodation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-09 US disclosed
EP-1636239-B1 INDOLE DERIVATIVES WITH AN IMPROVED ANTIPSYCHOTIC ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 EP disclosed
US-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
US-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
US-7081453-B2 Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-20060142318-A1 Compounds for treating fundic disaccomodation VAN EMELEN KRISTOF 2006-06-29 US disclosed
EP-1296987-B1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA NV (BE) 2005-12-07 EP disclosed
US-20040019051-A1 Compounds for treating impaired fundic relaxation JANSSEN-CILAG S.A. (ES) 2004-01-29 US disclosed
EP-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 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 (3 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-20040019051-A1 Compounds for treating impaired fundic relaxation CNR2, CNR1, CBR1 NISCH 2395/4885MAOA 556/4885MAOB 423/4885
US-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity HTR1A, TPH1, HTR1D NISCH 1000/4885MAOA 51/4885MAOB 75/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 NISCH 2574/4885MAOA 324/4885MAOB 389/4885

“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.