SCHEMBL8286387

SCHEMBL8286387

CCOC(=O)CCCN1CCC(COC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
HTR4 Q13639 3/20 0.55
CNR1 P21554 2/20 0.52
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA4 P43681 2/20 0.50
DRD3 P35462 1/20 0.50
TNF P01375 1/20 0.48

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
SCHEMBL8287623 0.88 HTR4 (0.70) HRH3HTR4CHRNB2CHRNB4CHRNA3
SCHEMBL13036115 0.87 HTR4 (0.52) HRH3HTR4CHRNB2CHRNB4CHRNA3
SCHEMBL8287642 0.82 DRD4 (0.67) HTR4
SCHEMBL8286386 0.81 HRH3 (0.49) HRH3HTR4CHRNB2CHRNB4CHRNA3
SCHEMBL13479856 0.80 HRH3 (0.48) HRH3HTR4CHRNB2CHRNB4CHRNA3
SCHEMBL7960244 0.80 DRD2 (0.62) HRH3HTR4CNR1TNF
SCHEMBL8287634 0.78 DRD4 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2114876 0.78 CDC25B (0.52) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13498624 0.78 CDC25B (0.52) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7247107 0.75 KCNH2 (0.61)

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 7 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-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 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
WO-2005061483-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS BIO-MEDISINSK INNOVASJON AS (NO) 2005-07-07 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 (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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C HRH3 364/4885HTR4 9/4885CNR1 72/4885
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 HRH3 80/4885HTR4 1/4885CNR1 64/4885

“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.