SCHEMBL1007308

SCHEMBL1007308

CN(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
POLQ O75417 1/20 0.70
LMNA P02545 3/20 0.57
GRIA2 P42262 1/20 0.56
TSHR P16473 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 1/20 0.52
THRB P10828 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL1005376 0.98 POLB (0.96) POLBPOLQLMNAGRIA2TSHR
SCHEMBL1006932 0.87 POLB (0.77) POLBPOLQLMNATSHRNPSR1
SCHEMBL1007585 0.86 POLB (0.76) POLBPOLQLMNATSHRNPSR1
SCHEMBL1007218 0.84 POLB (0.73) POLBPOLQLMNATSHRNPSR1
SCHEMBL1006501 0.83 POLQ (1.00) POLBPOLQLMNATSHRNPSR1
SCHEMBL3129634 0.80 GRIA2 (0.76) POLBGRIA2CYP1A2CYP3A4CYP2C19
SCHEMBL3134821 0.80 GRIA2 (0.76) POLBGRIA2CYP1A2CYP3A4CYP2C19
SCHEMBL1008020 0.78 SMN1; SMN2 (0.76) POLBLMNATSHRSMN1; SMN2CYP1A2
SCHEMBL1006301 0.77 TDP1 (0.69) POLBLMNATSHRSMN1; SMN2CYP1A2
SCHEMBL1006167 0.76 LMNA (0.94) POLBPOLQLMNATSHRNPSR1

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 POLB 3571/4885POLQ 3429/4885LMNA 4015/4885

“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.