SCHEMBL379938

SCHEMBL379938

O=CCO[C@H]1Cc2ccccc2C12CCN(C(=O)O)CC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.37
KDM1A O60341 3/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GRIN2B Q13224 2/20 0.33
BACE1 P56817 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KCNH2 Q12809 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
SCHEMBL379939 1.00 SIGMAR1 (0.37) SIGMAR1KDM1AHTR2AHTR2CHTR2B
SCHEMBL380562 0.90 SIGMAR1 (0.35) SIGMAR1KDM1AHTR2AHTR2CHTR2B
SCHEMBL380563 0.90 SIGMAR1 (0.35) SIGMAR1KDM1AHTR2AHTR2CHTR2B
SCHEMBL15061443 0.81 SIGMAR1 (0.34) SIGMAR1KDM1AHTR2AHTR2CHTR2B
SCHEMBL15061315 0.76 MCHR2 (0.46) SIGMAR1KDM1AHTR2AHTR2CHTR2B
SCHEMBL380882 0.74 KDM1A (0.49) KDM1A
SCHEMBL783757 0.70 SIGMAR1 (0.39) SIGMAR1KDM1AHTR2AHTR2C
SCHEMBL15061388 0.70 SIGMAR1 (0.39) SIGMAR1KDM1AHTR2AHTR2C
SCHEMBL380816 0.68 PRMT5 (0.48) KDM1A
SCHEMBL14272817 0.67 KDM1A (0.48) KDM1A

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-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 SIGMAR1 116/4885KDM1A 1062/4885HTR2A 222/4885

“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.