SCHEMBL380616

SCHEMBL380616

CN(CCCNC(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
SLC22A2 O15244 1/20 0.60
SLC22A1 O15245 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TSHR P16473 1/20 0.60
ACHE P22303 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HPGD P15428 1/20 0.57
SIGMAR1 Q99720 12/20 0.53
TMEM97 Q5BJF2 10/20 0.53
ACKR3 P25106 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
HDAC3 O15379 3/20 0.50

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
SCHEMBL15128281 0.88 LMNA (0.63) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL1559831 0.88 HPGD (0.73) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL3030899 0.87 SIGMAR1 (0.70) ALDH1A1HPGDSIGMAR1TMEM97ACKR3
SCHEMBL3758442 0.83 LMNA (0.55) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL380130 0.82 TMEM97 (0.72) LMNAALDH1A1MAPK1SIGMAR1TMEM97
SCHEMBL2159841 0.82 TSHR (0.83) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL11230329 0.82 KDM4E (0.63) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL12515200 0.82 KDM4E (0.63) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL1409860 0.81 LMNA (0.71) LMNASLC22A2SLC22A1ALDH1A1TSHR
SCHEMBL3000922 0.80 POLB (0.58) LMNASLC22A2SLC22A1ALDH1A1TSHR

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 LMNA 3813/4885SLC22A2 1280/4885SLC22A1 1891/4885

“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.