SCHEMBL3165607

SCHEMBL3165607

CC(CC(Cl)(Cl)Cl)OC(=O)CCCC(OC(=O)c1c[nH]c2ccccc12)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.41
HTR3B O95264 6/20 0.41
HTR3A P46098 6/20 0.41
HTR3D Q70Z44 6/20 0.41
HTR3C Q8WXA8 6/20 0.41
CHRNB2 P17787 3/20 0.39
CHRNA7 P36544 3/20 0.39
CHRNA4 P43681 3/20 0.39
HTR4 Q13639 3/20 0.39
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRND Q07001 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL3166028 0.83 HTR4 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3168239 0.75 HTR4 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9539487 0.72 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9340476 0.71 APEX1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9197865 0.68 MAP2K1 (0.51) CYP2D6
SCHEMBL3262552 0.67 NR4A2 (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL15175820 0.64 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7268900 0.63 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7298043 0.63 NPC1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7297721 0.62 NPC1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C

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 8 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
EP-1701951-B1 MODULATORS OF PERIPHERAL 5-HT RECEPTORS SERODUS AS (NO) 2010-02-10 EP disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
EP-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed
EP-1701951-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS Bio-Medisinsk Innovasjon AS (NO) 2006-09-20 EP 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 HTR3E 12/4885HTR3B 10/4885HTR3A 7/4885
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 HTR3E 11/4885HTR3B 7/4885HTR3A 9/4885

“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.