SCHEMBL3866360

SCHEMBL3866360

CC1CCN(CCOc2ccc(N)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.71
KDM4E B2RXH2 3/20 0.63
LTA4H P09960 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
RECQL P46063 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 8/20 0.59
MAOB P27338 1/20 0.56
HRH2 P25021 1/20 0.56
HRH1 P35367 1/20 0.56
KMT2A Q03164 1/20 0.54

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
Hydrochloric Acid SCHEMBL3859180 0.98 SIGMAR1 (0.74) SIGMAR1KDM4ELTA4HPTGS1PTGS2
SCHEMBL19234679 0.86 SIGMAR1 (0.73) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL2730185 0.85 LTA4H (0.60) SIGMAR1KDM4ELTA4HPTGS1PTGS2
SCHEMBL23366756 0.84 SIGMAR1 (0.71) SIGMAR1KDM4ELTA4HRECQLTDP1
SCHEMBL4484351 0.84 SIGMAR1 (0.71) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL12153404 0.84 LTA4H (0.63) SIGMAR1LTA4HPTGS1PTGS2HRH3
SCHEMBL9471541 0.84 LTA4H (0.63) SIGMAR1LTA4HPTGS1PTGS2HRH3
SCHEMBL5388793 0.84 HRH3 (0.71) SIGMAR1KDM4ELTA4HRECQLTDP1
SCHEMBL23724070 0.84 MEN1 (0.51) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL21814266 0.84 SIGMAR1 (0.62) SIGMAR1KDM4ERECQLTDP1HRH3

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
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 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 (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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 SIGMAR1 105/4885KDM4E 1277/4885LTA4H 2727/4885

“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.