SCHEMBL560719

SCHEMBL560719

O=CNCC(=O)NCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.67
FPR2 P25090 13/20 0.66
LMNA P02545 6/20 0.65
MAPT P10636 6/20 0.65
CYP3A4 P08684 4/20 0.65
MAPK1 P28482 4/20 0.65
USP2 O75604 4/20 0.65
TP53 P04637 3/20 0.65
ABCB11 O95342 2/20 0.65
CYP1A2 P05177 2/20 0.65
ABCB1 P08183 2/20 0.65
HTR1A P08908 2/20 0.65
ADRA2A P08913 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
CYP2D6 P10635 2/20 0.65
CHRM1 P11229 2/20 0.65
DRD2 P14416 2/20 0.65
ADRA2B P18089 2/20 0.65
ADRA2C P18825 2/20 0.65
NFKB1 P19838 2/20 0.65

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
SCHEMBL10168902 0.91 KIF11 (0.70) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL10168895 0.89 KIF11 (0.68) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL10168440 0.88 FPR2 (0.68) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL10168897 0.88 FPR2 (0.70) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL10136951 0.87 HTR1A (0.52) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL10168899 0.86 KIF11 (0.73) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL560413 0.84 KIF11 (0.71) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL10168441 0.84 FPR2 (0.70) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL560511 0.83 KIF11 (0.70) KIF11FPR2LMNAMAPTCYP3A4
SCHEMBL26002112 0.83 FPR2 (0.75) KIF11FPR2LMNAMAPTCYP3A4

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
US-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same CORRIDOR PHARMACEUTICALS, INC. 2012-02-09 US claimed
US-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same CORRIDOR PHARMACEUTICALS, INC. 2012-02-09 US disclosed
US-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same CORRIDOR PHARMACEUTICALS, INC. 2012-02-09 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-20120035161-A1 Novel Compositions and Methods of Treating Diseases Using the Same NFATC1, BAX, BCL2 KIF11 3636/4885FPR2 153/4885LMNA 301/4885

“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.