SCHEMBL17686393

SCHEMBL17686393

CC1CCC(CC2(O)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX1 P07099 1/20 0.32
IL1B P01584 1/20 0.32
P2RX7 Q99572 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9918105 0.84 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL25323352 0.84 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL25323350 0.84 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL8007592 0.80 NR1H2 (0.40) NR1H2RECQLHSD17B10CHRM2CHRM1
SCHEMBL17686396 0.80
SCHEMBL9918104 0.79 NR1H2 (0.42) NR1H2RECQLHSD17B10CHRM2CHRM1
SCHEMBL29202406 0.79 NR1H2 (0.39) NR1H2RECQLHSD17B10CHRM2CHRM1
SCHEMBL2079719 0.79 CCR2 (0.37) NR1H2RECQLCHRM2CHRM1CHRM3
SCHEMBL29081315 0.78 NR1H2 (0.38) NR1H2RECQLHSD17B10HPGDCHRM2
SCHEMBL29081317 0.78 NR1H2 (0.38) NR1H2RECQLHSD17B10HPGDCHRM2

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-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 NR1H2 1432/4885RECQL 1755/4885HSD17B10 1729/4885

“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.