SCHEMBL16238599

SCHEMBL16238599

O=C(O)C1CCCN(C(=O)N2CCOCC2)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.46
AKR1C3 P42330 2/20 0.44
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL3720831 0.80 MAPT (0.55) MAPK1TSHRMAPTCYP1A2ALDH1A1
SCHEMBL16002975 0.80 ALDH1A1 (0.55) MAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL13212656 0.79 MEN1 (0.60) MEN1TP53KMT2AMAPK1SMN1; SMN2
SCHEMBL16238665 0.79 ALDH1A1 (0.43) MEN1KMT2AMAPK1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL28576459 0.79 CA2 (0.59) TSHRSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28582423 0.79 CA2 (0.59) TSHRSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28576462 0.79 CA2 (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL8256259 0.78 MEN1 (0.58) MEN1TP53KMT2AMAPK1AKR1C3
SCHEMBL4305149 0.78 MEN1 (0.82) MEN1TP53KMT2AAKR1C3TSHR
SCHEMBL2202342 0.78 MEN1 (0.82) MEN1TP53KMT2AAKR1C3TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398771-B1 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP claimed
EP-2398771-B1 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
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 MEN1 4853/4885TP53 4743/4885KMT2A 3143/4885

“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.