SCHEMBL5701202

SCHEMBL5701202

c1ccc2cc(OCCCCNN3CCCCC3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.63
DRD3 P35462 2/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HRH1 P35367 1/20 0.46
PPARG P37231 2/20 0.46
HDAC1 Q13547 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46

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
SCHEMBL5701209 0.96 HRH3 (0.60) HRH3DRD3KDM4EMAPK1TDP1
SCHEMBL12741179 0.77 HRH3 (1.00) HRH3DRD3
SCHEMBL14970452 0.77 HRH3 (0.89) HRH3DRD3HRH1SLC6A2SLC6A4
SCHEMBL8565990 0.76 TDP1 (0.76) HRH3DRD3KDM4EMAPK1TDP1
SCHEMBL491968 0.75 HRH3 (0.97) HRH3DRD3SLC6A2SLC6A4
SCHEMBL5701136 0.75 KDM4E (0.56) HRH3KDM4EMAPK1TDP1
SCHEMBL30186207 0.75 HRH3 (0.81) HRH3DRD3SLC6A2SLC6A4
SCHEMBL11151279 0.75 HRH3 (0.81) HRH3DRD3SLC6A2SLC6A4
SCHEMBL16902850 0.75 TDP1 (0.73) HRH3DRD3KDM4EMAPK1TDP1
SCHEMBL16902870 0.75 TDP1 (0.73) HRH3DRD3KDM4EMAPK1TDP1

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
EP-1682484-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-26 EP claimed
US-7081465-B2 Alpha-substituted naphthyloxy omega-substituted alky/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-25 US claimed
WO-2005042465-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-05-12 WO claimed
EP-1682484-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-26 EP disclosed
US-7081465-B2 Alpha-substituted naphthyloxy omega-substituted alky/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-25 US disclosed
WO-2005042465-A1 OMEGA-SUBSTITUTED-NAPHTHYLOXYALKLAMINO DERIVATIVES AS ANTIHYPERGLYCEMIC AGENTS AND PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-05-12 WO disclosed
US-20040192688-A1 Alpha-substituted naphthyloxy omega-substituted alkyl/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2004-09-30 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-20040192688-A1 Alpha-substituted naphthyloxy omega-substituted alkyl/aryl amino-substituted alkane derivatives as agent for treatment or prophylaxis of diabetes and related metabolic disorders APOB, LIPC, FABP3 HRH3 2903/4885DRD3 582/4885KDM4E 2830/4885

“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.