SCHEMBL18878114

SCHEMBL18878114

[2H][C@@](N)(CC)c1ccc(C)o1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 2/20 0.37
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRM3 P20309 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR2 P25025 1/20 0.32
MAPT P10636 4/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL12261608 0.78 TDP1 (0.43) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL1579401 0.78 TDP1 (0.43) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL2020599 0.78 TDP1 (0.43) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL13226980 0.73 TDP1 (0.48) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL20276748 0.73 TDP1 (0.48) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL8228492 0.71 TDP1 (0.46) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL12626512 0.71 TDP1 (0.46) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL12625957 0.71 TDP1 (0.46) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL18870054 0.71 TDP1 (0.40) TDP1ALOX5POLBMEN1CHRM2
SCHEMBL12261721 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601766-B CXCR2 inhibitors 凯莫森特里克斯股份有限公司 2022-05-13 CN disclosed
US-20170144996-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2017-05-25 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-20170144996-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 TDP1 4269/4885ALOX5 3187/4885POLB 3220/4885

“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.