SCHEMBL16254936

SCHEMBL16254936

CC1CCCCN1C(=O)CC1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HPGD P15428 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL16253039 0.81 KDM4E (0.48) ALDH1A1KDM4ECYP3A4CYP2C19HPGD
SCHEMBL3708233 0.81 KDM4E (0.47) ALDH1A1KDM4EHPGDLMNA
SCHEMBL16238311 0.81 KDM4E (0.47) ALDH1A1KDM4EHPGDLMNA
SCHEMBL3708234 0.81 KDM4E (0.47) ALDH1A1KDM4EHPGDLMNA
SCHEMBL16254979 0.77 CNR1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL8466470 0.73 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL12224346 0.73 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL8459065 0.73 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL4256387 0.73 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL13674774 0.73 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1

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-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 — — US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2533/4885KDM4E 2973/4885CYP3A4 876/4885

“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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