SCHEMBL3233129

SCHEMBL3233129

CN(C)Cc1c(C(C)(C)C)[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
MAPT P10636 2/20 0.67
CHRNB2 P17787 3/20 0.58
CHRNA7 P36544 3/20 0.58
CHRNA4 P43681 3/20 0.58
HTR6 P50406 1/20 0.53
HPGD P15428 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
2-Methyl Gramine SCHEMBL2519973 0.80 MAPT (1.00) CYP3A4MAPTHTR6HPGDHTR2A
SCHEMBL30314130 0.79 CHRNB2 (0.61) CYP3A4MAPTCHRNB2CHRNA7CHRNA4
SCHEMBL3228289 0.76 CHRNB2 (0.67) CYP3A4MAPTCHRNB2CHRNA7CHRNA4
SCHEMBL11495830 0.76 HTR2A (0.71) CYP3A4MAPTHTR6HPGDHTR2A
SCHEMBL3221608 0.75 EGFR (0.59) CYP3A4MAPTCHRNB2CHRNA7CHRNA4
SCHEMBL3868019 0.75 MAPT (0.65) CYP3A4MAPTHTR6HPGDHTR2A
SCHEMBL11348399 0.75 MAPT (0.65) CYP3A4MAPTCHRNB2CHRNA7CHRNA4
SCHEMBL14540350 0.74 CYP3A4 (0.64) CYP3A4MAPTCHRNB2CHRNA7CHRNA4
SCHEMBL17911952 0.73 CHRNB2 (0.63) CYP3A4CHRNB2CHRNA7CHRNA4HPGD
SCHEMBL29951907 0.73 MAPT (0.63) CYP3A4MAPTHTR6HPGDHTR2A

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 4 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
US-4217357-A Inhibition of thromboxane synthetase with 3-(imidazol-1-ylalkyl)indoles PFIZER INC. (US) 1980-08-12 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-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor PTGER2, PTGER1, PTGDR2 CYP3A4 492/4885MAPT 4374/4885CHRNB2 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.