SCHEMBL2440167

SCHEMBL2440167

CC(C)(C)OC(=O)C(C#N)c1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.39
S1PR3 Q99500 13/20 0.36
S1PR1 P21453 11/20 0.36
S1PR4 O95977 6/20 0.36
S1PR2 O95136 4/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
DGAT1 O75907 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22436421 0.84 KMT2A (0.42) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL29839314 0.84 KMT2A (0.45) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL30414024 0.82 KMT2A (0.37) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL1762639 0.82 AAK1 (0.33) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL25028822 0.82 KMT2A (0.40) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL2439434 0.82 SMN1; SMN2 (0.46) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL30908527 0.81 MAPK1 (0.44) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL796491 0.80 CYP2C19 (0.46) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL16828692 0.80 KMT2A (0.39) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL18248722 0.79 KMT2A (0.43) KMT2AMEN1GAASMN1; SMN2LMNA

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-2547679-B1 2,3 DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.6]NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR PFIZER (US) 2015-11-04 EP disclosed
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-8609680-B2 2,3-dihydro-1H-inden-1-yl-2,7-diazaspiro[3.5] nonane derivatives PFIZER INC. (US) 2013-12-17 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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 (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-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES GIPR, GLP1R, GHSR KMT2A 2302/4885MEN1 1344/4885GAA 2066/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR KMT2A 2320/4885MEN1 1300/4885GAA 2178/4885

“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.