SCHEMBL17207459

SCHEMBL17207459

OC1(c2cccc(-c3ccc(Cl)cc3)c2)CCCCC1n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.38
OPRM1 P35372 6/20 0.38
SLC6A5 Q9Y345 5/20 0.38
OPRL1 P41146 4/20 0.38
NR4A2 P43354 1/20 0.35
BACE1 P56817 3/20 0.34
CTSD P07339 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CNR2 P34972 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL15822249 0.90 SLC6A9 (0.39) SLC6A9OPRM1SLC6A5OPRL1BACE1
SCHEMBL17207460 0.89 OPRM1 (0.41) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL9733626 0.85 OPRM1 (0.43) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL9733620 0.85 OPRM1 (0.43) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL9733623 0.85 OPRM1 (0.43) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL31302597 0.84 OPRM1 (0.42) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL82209 0.84 OPRM1 (0.42) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL82208 0.84 OPRM1 (0.42) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL69255 0.84 OPRM1 (0.42) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL8448797 0.84 OPRM1 (0.42) SLC6A9OPRM1SLC6A5OPRL1CNR2

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-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides BASF SE (DE) 2015-10-29 US disclosed
US-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides BASF SE (DE) 2015-10-29 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-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides TH, CYP51A1, NOS3 SLC6A9 2695/4885OPRM1 4317/4885SLC6A5 2381/4885

“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.