SCHEMBL3168239

SCHEMBL3168239

CC(CC(Cl)(Cl)Cl)OC(=O)CCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.68
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
MAPT P10636 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL13036110 0.87 HTR4 (0.75) HTR4CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL3166017 0.82 HTR4 (1.00) HTR4CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL13036127 0.81 HTR4 (0.80) HTR4CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL3165607 0.75 HTR3E (0.41) HTR4CYP2D6ALDH1A1TSHRTHPO
SCHEMBL7301492 0.75 HTR4 (0.73) HTR4CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL8286400 0.73 HTR4 (0.79) HTR4DRD2HTR1A
SCHEMBL7303858 0.73 HTR4 (0.69) HTR4CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL13036115 0.71 HTR4 (0.52) HTR4CYP1A2CYP2C9PMP22DRD2
SCHEMBL9539480 0.70 HTR4 (0.63) HTR4CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL8285569 0.70 HTR4 (1.00) HTR4CYP2D6CYP1A2CYP2C9CYP3A4

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 HTR4 9/4885CYP2D6 853/4885ALDH1A1 3581/4885
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 HTR4 1/4885CYP2D6 1330/4885ALDH1A1 3462/4885

“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.