SCHEMBL3863019

SCHEMBL3863019

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ ADRA1B P35368 2/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTR1A P08908 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL5779655 0.89 ADRA1A (0.49) ALDH1A1MAPTKDM4EADRA1AADRA1B
SCHEMBL3863267 0.87 KDM4E (0.53) ALDH1A1MAPTKDM4EADRA1AADRA1B
SCHEMBL3860586 0.86 ADRA1A (0.49) ALDH1A1MAPTKDM4EADRA1AADRA1B
SCHEMBL4024622 0.84 HTR2C (0.54) HTR2BCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL264564 0.84 LTA4H (0.57) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL5381777 0.84 LTA4H (0.54) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL5257155 0.84 MCHR1 (0.50) ALDH1A1MAPTKDM4EADRA1AADRA1B
SCHEMBL5257435 0.84 MCHR1 (0.50) ALDH1A1MAPTKDM4EADRA1AADRA1B
SCHEMBL3860633 0.83 ADRA1A (0.53) ALDH1A1KDM4EADRA1AADRA1BNPC1
SCHEMBL6313154 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ENPC1RAB9A

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 2 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
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — US 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 ALDH1A1 4302/4885MAPT 4341/4885KDM4E 1277/4885

“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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