SCHEMBL22096205

SCHEMBL22096205

C=CC(C)(C)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL18430166 0.77 CYP2B6 (0.32)
SCHEMBL1266718 0.76 SMN1; SMN2 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL15853682 0.75 CYP2B6 (0.35)
SCHEMBL11565244 0.73 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL11565246 0.73 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL31625697 0.73 ALDH1A1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL1260778 0.72 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL12509609 0.71 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2TSHRMAPK1USP2
SCHEMBL4471161 0.71 SMN1; SMN2 (0.37) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL85406 0.71 SMN1; SMN2 (0.37) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1

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-10683281-B2 GLP-1 receptor agonists and uses thereof PFIZER INC. (US) 2020-06-16 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-10683281-B2 GLP-1 receptor agonists and uses thereof GLP1R, GIPR, GCGR MEN1 1868/4885KMT2A 1805/4885ALDH1A1 907/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 MEN1 2257/4885KMT2A 3206/4885ALDH1A1 172/4885

“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.