SCHEMBL3544684

SCHEMBL3544684

COc1ccc(CC2CCN(OC(=O)C(=O)ON3CCC(Cc4ccc(OC)cc4)C3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
OPRM1 P35372 2/20 0.46
CCR5 P51681 1/20 0.45
CCR3 P51677 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1760845 0.83 ALDH1A1 (0.47) GRIN1GRIN2BCCR5CCR3GAA
SCHEMBL1760952 0.80 LPL (0.49) CCR5CCR3
SCHEMBL4775057 0.77 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AGRIN1GRIN2B
SCHEMBL5245652 0.76 CYP2D6 (0.47) SMN1; SMN2MEN1KMT2ACCR3HPGD
SCHEMBL4958207 0.76 MEN1 (0.65) SMN1; SMN2MEN1KMT2AGRIN1GRIN2B
SCHEMBL17966723 0.75 MEN1 (0.53) SMN1; SMN2MEN1KMT2AGRIN1GRIN2B
SCHEMBL13279147 0.74 HRH4 (0.61) SMN1; SMN2MEN1KMT2AGRIN1GRIN2B
SCHEMBL13873202 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACCR3
SCHEMBL12929417 0.73 HTR1A (0.51) SMN1; SMN2MEN1KMT2AOPRM1
SCHEMBL1443441 0.73 HRH3 (0.47) SMN1; SMN2GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
EP-1778675-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 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 (2 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 SMN1; SMN2 3710/4885MEN1 1658/4885KMT2A 2389/4885
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS SMN1; SMN2 4589/4885MEN1 2391/4885KMT2A 3149/4885

“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.