SCHEMBL15822249

SCHEMBL15822249

OC1(c2cccc(-c3ccccc3)c2)CCCCCC1n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRM1 P35372 8/20 0.38
OPRL1 P41146 6/20 0.38
SLC6A5 Q9Y345 5/20 0.38
BACE1 P56817 3/20 0.37
CYP19A1 P11511 1/20 0.36
CTSD P07339 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MEN1 O00255 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17207459 0.90 SLC6A9 (0.38) SLC6A9SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL17207446 0.89 SLC6A9 (0.42) SLC6A9SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL15834040 0.88 SLC6A9 (0.40) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL15834041 0.88 SLC6A9 (0.43) SLC6A9OPRM1OPRL1SLC6A5
SCHEMBL15822736 0.85 SLC6A9 (0.36) SLC6A9SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL17207430 0.84 SLC6A9 (0.39) SLC6A9OPRM1OPRL1SLC6A5CYP19A1
SCHEMBL15822245 0.84 SLC6A9 (0.37) SLC6A9SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL15833890 0.80 SLC6A2 (0.35) SLC6A9SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL15833925 0.79 SLC6A9 (0.42) SLC6A9OPRM1OPRL1SLC6A5KMT2A
SCHEMBL17207460 0.78 OPRM1 (0.41) SLC6A9SLC6A4SLC6A3OPRM1OPRL1

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 6 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
US-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides BASF SE (DE) 2015-10-29 US disclosed
EP-2935224-A1 NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2015-10-28 EP disclosed
WO-2014095547-A1 NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-26 WO disclosed
WO-2014095547-A1 NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-26 WO 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 2695/4885SLC6A2 1791/4885SLC6A4 1589/4885

“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.