SCHEMBL2677418

SCHEMBL2677418

O=C(O)N1CCCN(C(=O)C2CCC(F)(F)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 1/20 0.46
GRM5 P41594 2/20 0.41
HSD11B1 P28845 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL16238423 0.86 HPGD (0.67) ALDH1A1HPGDTSHRHTTCNR2
SCHEMBL26124277 0.84 HPGD (0.68) ALDH1A1HPGDTSHRHTTCNR2
SCHEMBL2677613 0.82 ALDH1A1 (0.72) ALDH1A1HPGDTSHRHTTCNR2
SCHEMBL2677357 0.82 HTT (0.50) ALDH1A1HPGDTSHRHTTCNR2
SCHEMBL2676701 0.80 ALDH1A1 (0.76) ALDH1A1HPGDTSHRHTTCNR2
SCHEMBL2677816 0.80 ALDH1A1 (0.76) ALDH1A1HPGDTSHRHTTCNR2
SCHEMBL493733 0.80 HPGD (0.61) ALDH1A1HPGDTSHRHTTLMNA
SCHEMBL20827318 0.79 ALDH1A1 (0.42) ALDH1A1HPGDTSHRCNR2LMNA
SCHEMBL3084399 0.78 HPGD (0.66) ALDH1A1HPGDHTTCNR2LMNA
SCHEMBL2818946 0.78 HPGD (0.55) ALDH1A1HPGDTSHRHTTLMNA

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 6 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 claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
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
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO 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 ALDH1A1 1695/4885HPGD 422/4885TSHR 995/4885

“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.