SCHEMBL3865092

SCHEMBL3865092

COc1cc(N)ccc1OCCN1CCC(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2C P28335 14/20 0.53
HTR2B P41595 9/20 0.53
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR2A P28223 10/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4022252 0.95 HTR2C (0.58) CYP1A2CYP2D6CYP2C9CYP2C19HTR2C
Hydrochloric Acid SCHEMBL5237943 0.94 HTR2C (0.57) CYP1A2CYP2D6CYP2C9CYP2C19HTR2C
SCHEMBL3857018 0.88 ADRA1A (0.51) KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL5381539 0.86 LTA4H (0.59) KDM4ESMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL264641 0.86 LTA4H (0.62) KDM4ESMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL3860633 0.85 ADRA1A (0.53) KDM4ESMN1; SMN2ADRA1AADRA1BALDH1A1
SCHEMBL4267515 0.85 LTA4H (0.61) KDM4ESMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL6313608 0.85 KDM4E (0.53) KDM4EADRA1AADRA1BALDH1A1
SCHEMBL31378713 0.85 LTA4H (0.61) KDM4ESMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL14370223 0.85 MCHR1 (0.54) KDM4ESMN1; SMN2ADRA1AADRA1BALDH1A1

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
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
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-1730130-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2006-12-13 EP 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
US-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005085221-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO 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 (2 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-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity MCHR2, MCHR1, NPY1R KDM4E 418/4885SMN1; SMN2 2654/4885CYP1A2 1685/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 KDM4E 1277/4885SMN1; SMN2 2771/4885CYP1A2 3673/4885

“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.