SCHEMBL1905248

SCHEMBL1905248

COC(=O)CN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 19/20 0.75
KCNH2 Q12809 7/20 0.72
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
USP2 O75604 1/20 0.67
CYP2C9 P11712 1/20 0.67
HTR3E A5X5Y0 1/20 0.67
MLNR O43193 1/20 0.67
CACNA1F O60840 1/20 0.67
HTR3B O95264 1/20 0.67
HMGCR P04035 1/20 0.67
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
DRD2 P14416 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
DRD1 P21728 1/20 0.67
TBXA2R P21731 1/20 0.67
ADRA1D P25100 1/20 0.67
HTR2A P28223 1/20 0.67

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
SCHEMBL12669528 1.00 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021574 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021913 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021906 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021556 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021564 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9022017 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021517 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021506 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2
SCHEMBL9021491 0.93 HTR4 (0.75) HTR4KCNH2CYP3A4CYP2D6USP2

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-RE42412-E1 Materials and methods for the treatment of gastroesophageal reflux disease ARYX THERAPEUTICS, INC. (US) 2011-05-31 US disclosed
US-20030216387-A1 Materials and methods for the treatment of gastroesophageal reflux disease ARYX THERAPEUTICS 2003-11-20 US disclosed
US-6552046-B2 Cisapride ARYX THERAPEUTICS 2003-04-22 US disclosed
US-20020025970-A1 Materials and methods for the treatment of gastroesophageal reflux disease ARYX THERAPEUTICS, INC. 2002-02-28 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 (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-20020025970-A1 Materials and methods for the treatment of gastroesophageal reflux disease GRPR, HRH2, FABP6 HTR4 565/4885KCNH2 1833/4885CYP3A4 1235/4885
US-20030216387-A1 Materials and methods for the treatment of gastroesophageal reflux disease GRPR, HRH2, FABP6 HTR4 565/4885KCNH2 1833/4885CYP3A4 1235/4885

“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.