SCHEMBL3857798

SCHEMBL3857798

CC(C)Nc1ccc2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
BRD4 O60885 2/20 0.46
KCNH3 Q9ULD8 1/20 0.46
MAPT P10636 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
TTR P02766 1/20 0.44
RIPK1 Q13546 1/20 0.43
HTR1A P08908 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL7097532 0.79 HTR1A (0.50) SMN1; SMN2MAPTHTR3EHTR3BALDH1A1
SCHEMBL9760934 0.75 RIPK1 (0.60) SMN1; SMN2LMNAMAPTHTR3EHTR3B
SCHEMBL6365070 0.75 HTR1A (0.52) LMNAMAPTHTR3EHTR3BALDH1A1
SCHEMBL646725 0.74 TTR (0.53) SMN1; SMN2LMNAMAPTHTR3EHTR3B
SCHEMBL28234952 0.74 ALDH1A1 (0.51) SMN1; SMN2MAPTHTR3EHTR3BALDH1A1
SCHEMBL31067258 0.74 ALDH1A1 (0.51) SMN1; SMN2MAPTHTR3EHTR3BALDH1A1
SCHEMBL28209940 0.74 RPS6KB1 (0.41) SMN1; SMN2HTR3EHTR3BALDH1A1CYP1A2
SCHEMBL4470507 0.73 ALDH1A1 (0.45) SMN1; SMN2MAPTHTR3EHTR3BALDH1A1
SCHEMBL22926878 0.73 TTR (0.47) SMN1; SMN2LMNAMAPTHTR3EHTR3B
SCHEMBL30716729 0.73 ALDH1A1 (0.60) SMN1; SMN2LMNAMAPTALDH1A1CYP1A2

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 SMN1; SMN2 2771/4885LMNA 3501/4885BRD4 221/4885

“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.