SCHEMBL21360341

SCHEMBL21360341

O=C(O)C1C(C(=O)N2CCNCC2)[C@@H]2C=C[C@@H]1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 5/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ CHRNB3 Q05901 1/20 0.44
▸ CHRNA6 Q15825 1/20 0.44
▸ PPM1B O75688 2/20 0.41
▸ PPP5C P53041 2/20 0.39
▸ PPP2CA P67775 1/20 0.39
▸ NPY4R P50391 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CA2 P00918 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35

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
SCHEMBL9880144 1.00 TFPI2 (0.45) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL9880141 0.83 TFPI2 (0.56) TFPI2PPM1BPPP5CPPP2CANPY4R
SCHEMBL20459524 0.83 TFPI2 (0.46) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13001974 0.83 CHRNB2 (0.43) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14135612 0.82 TFPI2 (0.46) TFPI2PPM1BPPP5CPPP2CANPY4R
SCHEMBL19177682 0.82 TSHR (0.40) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL9880146 0.81 TFPI2 (0.60) TFPI2PPM1BPPP5CPPP2CANPY4R
SCHEMBL16451149 0.78 PPM1B (0.45) TFPI2PPM1BPPP5CPPP2CANPY4R
SCHEMBL9880153 0.77 HSD11B1 (0.45) TFPI2PPM1BPPP5CPPP2CANPY4R
SCHEMBL9880150 0.75 TFPI2 (0.73) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3

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-10413541-B2 Oxabicycloheptanes and oxabicycloheptenes for the treatment of depressive and stress disorders LIXTE BIOTECHNOLOGY, INC. (US) 2019-09-17 — — 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-10413541-B2 Oxabicycloheptanes and oxabicycloheptenes for the treatment of depressive and stress disorders HSD17B11, HSD17B1, CRH TFPI2 4289/4885CHRNB2 743/4885CHRNA3 787/4885

“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.

Send feedback