SCHEMBL13036099

SCHEMBL13036099

CCOC(=O)CCCN1CCC(OC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)C(OC)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.42
HTR3A P46098 3/20 0.42
HTR2C P28335 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
THRB P10828 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL13036100 0.88 HTR4 (0.40) HTR4HTR3AHTR2CCYP2D6CYP2C9
SCHEMBL8287809 0.88 HTR4 (0.46) HTR4HTR3AHTR2CCYP2D6CYP2C9
SCHEMBL13036098 0.86 HTR4 (0.52) HTR4HTR3AHTR2CCYP2D6CYP2C9
SCHEMBL8501145 0.85 HTR4 (0.37) HTR4HTR3AHTR2CCYP2D6CYP2C9
SCHEMBL8501152 0.85 HTR4 (0.37) HTR4HTR3AHTR2CCYP2D6CYP2C9
Water SCHEMBL8828924 0.77 HTR4 (0.51) HTR4HTR3AHTR2CCYP2D6CYP2C9
SCHEMBL8499970 0.77 GPR119 (0.33) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8499965 0.77 GPR119 (0.33) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8287812 0.76 HTR4 (0.43) HTR4HTR3AHTR2CCYP2D6CYP2C9
SCHEMBL14280207 0.75 HTR4 (0.53) HTR4HTR3AHTR2CCYP2D6CYP2C9

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-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 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-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 HTR4 1/4885HTR3A 9/4885HTR2C 10/4885

“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.