SCHEMBL2387897

SCHEMBL2387897

COC(=O)C1(NC(=O)Cc2cc(-c3ccc(F)cc3)ccc2C)CCN(OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.37
CNR2 P34972 6/20 0.37
MCHR1 Q99705 1/20 0.34
CHRM3 P20309 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2B Q13224 2/20 0.33
MAPK14 Q16539 1/20 0.33
HDAC3 O15379 1/20 0.33
SLC2A1 P11166 1/20 0.33
WNT3A P56704 1/20 0.32

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
SCHEMBL12479482 0.88 CNR1 (0.34) CNR1CNR2ALDH1A1GRIN2BMAPK14
SCHEMBL12029926 0.87 ANO1 (0.41) HDAC1HDAC2MAPK14HDAC3
SCHEMBL247644 0.86 NPC1 (0.37) MEN1KMT2A
SCHEMBL14834162 0.84 SETDB1 (0.36) CNR1CNR2MEN1ALDH1A1TSHR
SCHEMBL14834082 0.83 KMT2A (0.40) CNR1CNR2MEN1ALDH1A1TSHR
SCHEMBL15186069 0.83 CFD (0.36) CNR1CNR2MEN1ALDH1A1TSHR
SCHEMBL12256292 0.83 CHRM3 (0.32) CNR1CNR2CHRM3HDAC1HDAC2
SCHEMBL248771 0.82 KDM4E (0.31)
SCHEMBL9980974 0.80 FPR2 (0.40) CNR1CNR2HDAC1HDAC2MEN1
SCHEMBL11888066 0.80 MEN1 (0.30) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809542-B2 Spiroheterocyclically substituted tetramic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-11-07 US disclosed
US-9809542-B2 Spiroheterocyclically substituted tetramic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-11-07 US disclosed
EP-2534147-B1 SPIROHETEROCYCLIC-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-06-17 EP disclosed
US-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
WO-2011098443-A1 SPIROHETEROCYCLICAL SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-08-18 WO 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-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives AGXT, PTPRG, WIZ CNR1 3516/4885CNR2 4295/4885MCHR1 4618/4885

“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.