SCHEMBL3211200

SCHEMBL3211200

COc1cccc(Cc2cc3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3o2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.57
GPR52 Q9Y2T5 1/20 0.56
CACNA1G O43497 2/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
DRD4 P21917 10/20 0.50
HTR3A P46098 1/20 0.49
DRD2 P14416 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49
ERN1 O75460 1/20 0.47

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
SCHEMBL1850827 0.97 SMYD2 (0.54) SMYD2GPR52CACNA1GCYP2C9CYP2C19
SCHEMBL1851120 0.90 GPR52 (0.53) SMYD2GPR52CYP2C9CYP2C19DRD4
SCHEMBL1850828 0.83 SIGMAR1 (0.44) SMYD2GPR52DRD4
SCHEMBL1849693 0.81 GPR52 (0.52) GPR52
SCHEMBL1855327 0.80 GPR52 (0.51) GPR52DRD4MAPT
SCHEMBL7959088 0.77 TAS1R3 (0.53) GPR52
SCHEMBL1850921 0.75 GPR52 (0.49) GPR52CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3219252 0.75 GPR52 (0.77) GPR52
SCHEMBL1850964 0.75 SMYD2 (0.49) SMYD2GPR52CYP2C9CYP2C19DRD4
SCHEMBL3222089 0.74 GPR52 (0.78) GPR52MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 SMYD2 2916/4885GPR52 1/4885CACNA1G 1097/4885

“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.