SCHEMBL3226447

SCHEMBL3226447

Cc1[nH]c2c(Cl)ccc(C)c2c1CCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.51
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.40
CLCN2 P51788 1/20 0.40
TAAR1 Q96RJ0 4/20 0.39
HTR1D P28221 3/20 0.38
HTR6 P50406 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR7 P34969 1/20 0.38
HTR3A P46098 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PNMT P11086 1/20 0.33
HTR2A P28223 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3216180 0.90 KRAS (0.54) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL3614572 0.89 KRAS (0.53) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3224445 0.86 KRAS (0.57) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13493974 0.85 CYP1A2 (0.44) KRASCYP3A4CYP1A2CYP2C19ADRA2A
SCHEMBL3235519 0.82 KRAS (0.45) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL3582811 0.81 SMN1; SMN2 (0.47) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13496702 0.81 CYP1A2 (0.43) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3234804 0.81 CYP1A2 (0.43) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3260476 0.80 CYP1A2 (0.45) KRASCYP3A4CYP1A2CYP2C19ADRA2A
Hydrochloric Acid SCHEMBL3622627 0.79 SMN1; SMN2 (0.43) KRASCYP3A4CYP1A2CYP2C19SMN1; SMN2

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 6 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
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 US 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
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 KRAS 4229/4885CYP3A4 492/4885CYP1A2 102/4885

“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.