SCHEMBL22003802

SCHEMBL22003802

CCn1c(C)c(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.56
DPP4 P27487 2/20 0.52
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGDR2 Q9Y5Y4 7/20 0.49
PTGER4 P35408 1/20 0.48
KDM4E B2RXH2 2/20 0.46
RCE1 Q9Y256 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ACLY P53396 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
GRIK2 Q13002 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL11711359 0.84 DPP4 (0.49) HTR6DPP4PTGDR2LOXL2
SCHEMBL11713809 0.83 RAB9A (0.51) HTR6DPP4PTGDR2ACLYLOXL2
SCHEMBL11712258 0.81 PTGDR2 (0.57) PTGDR2ACLYLOXL2
SCHEMBL22005111 0.78 MAPK8 (0.56) DPP4MAPTALDH1A1ACLY
SCHEMBL13576578 0.76 MAPT (0.65) MAPTCYP1A2TDP1L3MBTL1LMNA
SCHEMBL1921261 0.76 PTGER4 (0.72) HTR6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL22003801 0.76 PTGDR2 (0.45) DPP4MAPTPTGDR2KDM4EACLY
SCHEMBL29643271 0.76 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1921288 0.76 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11715698 0.75 DPP4 (0.57) DPP4MAPTCYP1A2CYP3A4CYP2C9

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG HTR6 4870/4885DPP4 1573/4885MAPT 4477/4885

“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.