SCHEMBL4284950

SCHEMBL4284950

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CC=Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA4 P22748 4/20 0.32
CA9 Q16790 4/20 0.32
CYP2D6 P10635 5/20 0.31
TSHR P16473 3/20 0.31
ALDH1A1 P00352 3/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGLL Q99685 1/20 0.31
CYP3A4 P08684 2/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL4284946 1.00 SIGMAR1 (0.32) SIGMAR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL4291531 0.90 SIGMAR1 (0.37) SIGMAR1KDM4ECA1CA2CA4
SCHEMBL4281681 0.88 CA1 (0.42) SIGMAR1CA1CA2CA4CA9
SCHEMBL4290876 0.87 ABHD6 (0.35) CA1CA2CA4CA9CYP2D6
SCHEMBL4289702 0.86 HCRTR1 (0.38) CA1CA2CA4CA9BCHE
SCHEMBL4284797 0.86 CA1 (0.35) SIGMAR1CA1CA2CA4CA9
SCHEMBL4289813 0.86 CA1 (0.35) SIGMAR1CA1CA2CA4CA9
SCHEMBL4288504 0.85 CA1 (0.36) SIGMAR1CA1CA2CA4CA9
SCHEMBL4287604 0.85 CA1 (0.36) SIGMAR1KDM4ECA1CA2CA4
SCHEMBL4294545 0.85 SIGMAR1 (0.36) SIGMAR1SMN1; SMN2KDM4ECA1CA2

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 2 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

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 SIGMAR1 3163/4885HTR2A 4298/4885HTR2C 3663/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885HTR2A 4298/4885HTR2C 3663/4885

“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.