SCHEMBL4286507

SCHEMBL4286507

O=C(O)N1CCN(Cc2ccccc2)C[C@H]1CC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SIGMAR1 Q99720 8/20 0.47
HTR2A P28223 6/20 0.47
HTR2C P28335 6/20 0.47
HTR2B P41595 6/20 0.47
AGTR2 P50052 2/20 0.46
USP2 O75604 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CA9 Q16790 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL4286502 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ESIGMAR1HTR2AHTR2C
SCHEMBL5557489 0.85 MEN1 (0.44) SMN1; SMN2KDM4ESIGMAR1HTR2AHTR2C
SCHEMBL13705082 0.85 MEN1 (0.44) SMN1; SMN2KDM4ESIGMAR1HTR2AHTR2C
SCHEMBL5557490 0.85 MEN1 (0.44) SMN1; SMN2KDM4ESIGMAR1HTR2AHTR2C
SCHEMBL5557497 0.85 MEN1 (0.44) SMN1; SMN2KDM4ESIGMAR1HTR2AHTR2C
SCHEMBL18894086 0.85 AGTR2 (0.49) SMN1; SMN2SIGMAR1AGTR2MEN1KMT2A
SCHEMBL15279943 0.85 AGTR2 (0.49) SMN1; SMN2SIGMAR1AGTR2MEN1KMT2A
SCHEMBL3493764 0.85 AGTR2 (0.49) SMN1; SMN2SIGMAR1AGTR2MEN1KMT2A
SCHEMBL3496353 0.80 SIGMAR1 (0.54) SIGMAR1AGTR2KMT2ALMNACA1
SCHEMBL28429512 0.80 SIGMAR1 (0.54) SIGMAR1AGTR2KMT2ALMNACA1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885KDM4E 760/4885SIGMAR1 3163/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885KDM4E 760/4885SIGMAR1 3163/4885

“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.