SCHEMBL3860586

SCHEMBL3860586

COc1cc([N+](=O)[O-])ccc1OCCN1CCC(OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 2/20 0.49
▸ ADRA1B P35368 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LTA4H P09960 2/20 0.44
▸ PTGS1 P23219 1/20 0.44

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
SCHEMBL3863267 0.90 KDM4E (0.53) ADRA1AADRA1BSMN1; SMN2MAPTNPC1
SCHEMBL5779655 0.87 ADRA1A (0.49) ADRA1AADRA1BSMN1; SMN2MAPTNPC1
SCHEMBL264564 0.87 LTA4H (0.57) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4
SCHEMBL5381777 0.87 LTA4H (0.54) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4
SCHEMBL6313154 0.86 ALDH1A1 (0.59) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4
SCHEMBL3863019 0.86 ALDH1A1 (0.49) ADRA1AADRA1BSMN1; SMN2MAPTNPC1
SCHEMBL5255573 0.85 MCHR1 (0.50) ADRA1AADRA1BSMN1; SMN2MAPTNPC1
SCHEMBL14370282 0.85 ALDH1A1 (0.49) ADRA1AADRA1BSMN1; SMN2MAPTNPC1
SCHEMBL4024622 0.85 HTR2C (0.54) CYP1A2CYP2D6CYP2C9CYP2C19HTR2A
SCHEMBL5257435 0.84 MCHR1 (0.50) ADRA1AADRA1BSMN1; SMN2MAPTNPC1

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 ADRA1A 200/4885ADRA1B 161/4885SMN1; SMN2 2771/4885

“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.

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