SCHEMBL12443570

SCHEMBL12443570

O=CC1C2CCC(O2)C1C(=O)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TFPI2 P48307 7/20 0.48
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ CHRNB3 Q05901 1/20 0.46
▸ CHRNA6 Q15825 1/20 0.46
▸ PPP5C P53041 2/20 0.43
▸ PPP2CA P67775 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ CA2 P00918 2/20 0.33

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
SCHEMBL13477150 1.00 TFPI2 (0.48) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13556911 0.82 TFPI2 (0.66) TFPI2PPP5CPPP2CANPY4RKDM4E
SCHEMBL12124014 0.82 TFPI2 (0.66) TFPI2PPP5CPPP2CANPY4RKDM4E
SCHEMBL2334396 0.80 TFPI2 (0.73) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL9880150 0.80 TFPI2 (0.73) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13311572 0.80 TFPI2 (0.73) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2330157 0.78 TFPI2 (0.53) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13001884 0.78 TFPI2 (0.49) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2330162 0.77 TFPI2 (0.55) TFPI2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL26377916 0.75 PPM1B (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270736-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. (US) 2012-10-25 — — US disclosed
US-7998957-B2 Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2011-08-16 — — US disclosed
US-20090036309-A1 Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. 2009-02-05 — — 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-20120270736-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC TFPI2 4858/4885CHRNB2 4338/4885CHRNA3 4160/4885
US-20090036309-A1 Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use HCCS, VHL, OXA1L TFPI2 4843/4885CHRNB2 4107/4885CHRNA3 3912/4885

“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.

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