SCHEMBL2677236

SCHEMBL2677236

O=C(O)N1CCCCN(C(=O)C2CCOCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CNR2 P34972 9/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
LMNA P02545 1/20 0.45
GPR183 P32249 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL2677465 0.96 TSHR (0.52) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL2677457 0.95 HPGD (0.53) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL3595898 0.94 TSHR (0.52) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL18415359 0.91 HPGD (0.68) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL1911828 0.89 HPGD (0.72) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL2678757 0.86 CNR2 (0.49) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL26124277 0.83 HPGD (0.68) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL2677613 0.81 ALDH1A1 (0.72) HPGDTSHRALDH1A1CNR2HTT
SCHEMBL27752273 0.81 HPGD (0.72) HPGDTSHRALDH1A1HTTSMN1; SMN2
SCHEMBL3828585 0.81 ALDH1A1 (0.78) HPGDTSHRALDH1A1CNR2HTT

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-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HPGD 422/4885TSHR 995/4885ALDH1A1 1695/4885

“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.