SCHEMBL18845656

SCHEMBL18845656

CC(=O)C(c1ccccc1)N1CCc2sccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.57
CYP2C19 P33261 3/20 0.57
DRD1 P21728 3/20 0.57
OPRM1 P35372 3/20 0.57
ADRA2A P08913 2/20 0.57
CYP2B6 P20813 2/20 0.57
OPRK1 P41145 2/20 0.57
HTR2B P41595 2/20 0.57
KCNH2 Q12809 2/20 0.57
CHRM2 P08172 2/20 0.57
P2RY12 Q9H244 2/20 0.57
THRB P10828 1/20 0.57
NR1I2 O75469 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
CYP2C8 P10632 1/20 0.46
CES1 P23141 1/20 0.46
HHAT Q5VTY9 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL28404328 0.91 ABCB11 (0.57) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL6376935 0.91 ABCB11 (0.57) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL12723091 0.87 ABCB11 (0.54) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL12723086 0.86 ABCB11 (0.72) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL13575825 0.86 ABCB11 (0.72) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL10999703 0.86 ABCB11 (0.72) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL11001334 0.84 ABCB11 (0.57) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL13513521 0.83 ABCB11 (0.78) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL8677427 0.83 ABCB11 (0.78) ABCB11CYP2C19DRD1OPRM1ADRA2A
SCHEMBL8677579 0.83 ABCB11 (0.61) ABCB11CYP2C19DRD1OPRM1ADRA2A

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-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation GULBA DIETRICH (DE) 2023-06-20 US disclosed
US-20170127667-A1 USE AS RODENTICIDES OF COMPOUNDS THAT INHIBIT BLOOD COAGULATION GULBA DIETRICH (DE) 2017-05-11 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-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation PLAT, F2R, PLAUR ABCB11 2017/4885CYP2C19 238/4885DRD1 1508/4885
US-20170127667-A1 USE AS RODENTICIDES OF COMPOUNDS THAT INHIBIT BLOOD COAGULATION PLAT, F2R, PLAUR ABCB11 2017/4885CYP2C19 238/4885DRD1 1508/4885

“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.