SCHEMBL5701229

SCHEMBL5701229

c1ccc2cc(OCCNC3CCCCC3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 2/20 0.54
FOXM1 Q08050 1/20 0.53
PPARG P37231 1/20 0.51
FAAH O00519 1/20 0.51
EPHX1 P07099 1/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.50
HPGD P15428 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
SCHEMBL5701158 0.96 KDM4E (0.61) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL5701136 0.92 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2352175 0.83 KDM4E (0.69) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23640032 0.79 KDM4E (0.64) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12204135 0.78 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23074698 0.78 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29045832 0.78 KDM4E (0.63) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL7140903 0.78 KDM4E (0.79) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23074654 0.77 KDM4E (0.88) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23074658 0.77 KDM4E (0.88) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1

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 KDM4E 2830/4885CYP1A2 220/4885CYP2D6 301/4885

“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.