SCHEMBL3221608

SCHEMBL3221608

CC(C)(C)c1[nH]c2ccccc2c1CC#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.59
SRC P12931 1/20 0.59
CHRNB2 P17787 3/20 0.56
CHRNA7 P36544 3/20 0.56
CHRNA4 P43681 3/20 0.56
HPGD P15428 1/20 0.45
KIF11 P52732 3/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC1 Q13547 1/20 0.38
GPR3 P46089 1/20 0.38

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
SCHEMBL7127234 0.79 EGFR (0.63) EGFRSRCHPGDMAPTCYP3A4
SCHEMBL29915686 0.79 EGFR (0.63) EGFRSRCHPGDMAPTCYP3A4
SCHEMBL30314130 0.77 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4HPGDKIF11
SCHEMBL11081613 0.76 EGFR (0.48) EGFRSRCCHRNB2CHRNA7CHRNA4
SCHEMBL18301165 0.76 EGFR (0.63) EGFRSRCHPGDMAPTCYP3A4
SCHEMBL6669729 0.76 EGFR (0.63) EGFRSRCHPGDMAPTCYP3A4
SCHEMBL5144476 0.75 EGFR (0.58) EGFRSRCHPGDMAPTCYP3A4
SCHEMBL3233129 0.75 CYP3A4 (0.67) CHRNB2CHRNA7CHRNA4HPGDKIF11
SCHEMBL4257337 0.75 EGFR (0.61) EGFRSRCDRD2HTR2AHTR2C
SCHEMBL3228289 0.75 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4HPGDKIF11

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
WO-2010012397-A1 N-(INDOL-3-YLALKYL)(HETERO)ARYLAMIDE DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 US disclosed
EP-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP 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-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor PTGER2, PTGER1, PTGDR2 EGFR 744/4885SRC 4253/4885CHRNB2 331/4885

“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.