SCHEMBL1242965

SCHEMBL1242965

O=C(O)c1ccc(OCCCN2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.70
ALDH1A1 P00352 3/20 0.67
MAPK1 P28482 2/20 0.67
CYP1A2 P05177 1/20 0.67
CHRM2 P08172 1/20 0.67
CHRM1 P11229 1/20 0.67
HTR2A P28223 1/20 0.67
SCN1A P35498 1/20 0.67
HTR2B P41595 1/20 0.67
KCNH2 Q12809 1/20 0.67
SCN2A Q99250 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
SCN3A Q9NY46 1/20 0.67
KDM4E B2RXH2 2/20 0.66
EPHX2 P34913 1/20 0.65
LMNA P02545 2/20 0.65
USP2 O75604 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.63

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
SCHEMBL14714478 0.96 HRH3 (0.77) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL991354 0.93 ALDH1A1 (0.76) HRH3ALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7887532 0.91 ALDH1A1 (0.74) HRH3ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL11937424 0.88 BCHE (0.76) HRH3ALDH1A1KDM4EEPHX2BCHE
SCHEMBL9530115 0.87 ALDH1A1 (0.81) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL29973108 0.87 HRH3 (0.69) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL1244065 0.87 HRH3 (0.69) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL2087691 0.87 KDM4E (0.72) HRH3ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL21712218 0.85 HRH3 (0.65) HRH3ALDH1A1KDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7772340 0.85 KDM4E (0.71) HRH3ALDH1A1KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334681-A1 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS Wyeth LLC (US) 2011-06-22 EP disclosed
US-20110039824-A1 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors WYETH (US) 2011-02-17 US disclosed
WO-2010036362-A1 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS WYETH (US) 2010-04-01 WO disclosed
EP-1472215-A4 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-05-09 EP disclosed
US-6949574-B2 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2005-06-16 US disclosed
EP-1472215-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-11-03 EP disclosed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 US disclosed
WO-2003065989-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-14 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 (3 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-20110039824-A1 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors NR1H4, NR1H2, NR1I3 HRH3 691/4885ALDH1A1 1149/4885MAPK1 2764/4885
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 HRH3 556/4885ALDH1A1 394/4885MAPK1 3557/4885
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 HRH3 556/4885ALDH1A1 394/4885MAPK1 3557/4885

“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.