SCHEMBL5569781

SCHEMBL5569781

CC1(C)CN(c2cc(Cl)ccc2N)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
LATS1 O95835 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 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
SCHEMBL6023940 0.80 ADRA2C (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17738256 0.79 LATS1 (0.35) LATS1POLBHDAC1PRKCQ
SCHEMBL17513734 0.76 ADRB1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL6367433 0.75 ADRB1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5567965 0.73 ALDH1A1 (0.52) NR1H4HTR3EHTR3BHTR3AHTR3D
SCHEMBL5567969 0.73 ALDH1A1 (0.52) NR1H4HTR3EHTR3BHTR3AHTR3D
SCHEMBL5569136 0.73 ALDH1A1 (0.52) NR1H4HTR3EHTR3BHTR3AHTR3D
SCHEMBL15770057 0.73 LATS1 (0.55) LATS1HDAC1PRKCQMAPT
SCHEMBL17739338 0.73 LATS1 (0.33) LATS1HDAC1
SCHEMBL17739677 0.72 LATS1 (0.34) LATS1HDAC1DDR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458689-B1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES LUNDBECK & CO AS H (DK) 2007-04-11 EP disclosed
US-7067501-B2 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2005-08-04 US disclosed
EP-1458689-A1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-22 EP disclosed
WO-2003053942-A1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2003-07-03 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 (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-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives SLC1A5, SLC6A7, SLC6A19 NR1H4 241/4885HTR3E 1015/4885HTR3B 669/4885

“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.