SCHEMBL4187142

SCHEMBL4187142

CC(C)(C)OC(=O)N1CCC(C=Cc2ccc(O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
GPR119 Q8TDV5 11/20 0.43
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4187138 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGPR119ALDH5A1
SCHEMBL25368200 0.86 STS (0.42) ALDH1A1MAPTLMNAGPR119NPC1
SCHEMBL14261791 0.84 ALDH1A1 (0.59) ALDH1A1MAPTLMNAGPR119PTPN2
SCHEMBL4184900 0.84 ALDH5A1 (0.48) ALDH1A1MAPTLMNAALDH5A1ABAT
SCHEMBL4184907 0.84 ALDH5A1 (0.48) ALDH1A1MAPTLMNAALDH5A1ABAT
SCHEMBL4184903 0.84 ALDH5A1 (0.48) ALDH1A1MAPTLMNAALDH5A1ABAT
SCHEMBL4185534 0.82 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGPR119PTPN2
SCHEMBL4185542 0.82 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGPR119PTPN2
SCHEMBL14261779 0.82 ITGB2 (0.49) ALDH1A1MAPTLMNAGPR119NPC1
SCHEMBL24206992 0.82 TRPV1 (0.50) ALDH1A1MAPTLMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 ALDH1A1 643/4885MAPT 2254/4885LMNA 1414/4885

“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.