SCHEMBL3858048

SCHEMBL3858048

O=C(O)C1CC1c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
HRH3 Q9Y5N1 5/20 0.51
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
HPGD P15428 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.47
AOC3 Q16853 1/20 0.47
AKR1C3 P42330 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL4775094 0.84 NCF1 (0.53) HTTHIF1AEPAS1HPGDSIGMAR1
SCHEMBL13683480 0.77 NPC1 (0.59) HTTHRH3HIF1AEPAS1HPGD
SCHEMBL15467001 0.74 HRH3 (0.87) HRH3HIF1AEPAS1HPGDSMN1; SMN2
SCHEMBL1177221 0.74 HPGD (0.66) HRH3HIF1AEPAS1HPGDNPC1
SCHEMBL426993 0.74 HPGD (0.66) HTTHRH3HIF1AEPAS1HPGD
SCHEMBL5477508 0.74 SMN1; SMN2 (0.63) HTTHRH3HIF1AEPAS1HPGD
SCHEMBL3828316 0.74 KDM4E (0.47) HTTHRH3HIF1AEPAS1HPGD
SCHEMBL15096176 0.74 FFAR1 (0.56) ALDH1A1
Hydrochloric Acid SCHEMBL1177256 0.73 HPGD (0.64) HTTHRH3HIF1AEPAS1HPGD
Hydrochloric Acid SCHEMBL3858785 0.73 HPGD (0.64) HRH3HIF1AEPAS1HPGDNPC1

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 HTT 1236/4885HRH3 129/4885HIF1A 272/4885

“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.