SCHEMBL9733626

SCHEMBL9733626

OC1(c2ccc(Cl)cc2)CCCCC1n1cncn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
SLC6A9 P48067 5/20 0.43
SLC6A5 Q9Y345 4/20 0.43
OPRL1 P41146 3/20 0.43
SLC18A3 Q16572 1/20 0.39
GAA P10253 1/20 0.38
CNR2 P34972 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
CNR1 P21554 2/20 0.35

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
SCHEMBL9733620 1.00 OPRM1 (0.43) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL9733623 1.00 OPRM1 (0.43) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL82208 0.99 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL69255 0.99 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL8448797 0.99 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL82209 0.99 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL31302597 0.99 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL17207460 0.96 OPRM1 (0.41) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL15824257 0.93 SLC6A9 (0.42) OPRM1SLC6A9SLC6A5OPRL1SLC18A3
SCHEMBL15823874 0.87 SLC6A9 (0.35) OPRM1SLC6A9SLC6A5OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60172970-A None JP 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
WO-2014095547-A1 NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-26 WO disclosed
US-5091539-A Reacting an ozolyl cycloalkanone with Grignard reagent or alkali metal compound SHIONOGI & CO., LTD. (JP) 1992-02-25 US disclosed
JP-S60172970-A CIS-AZOLYLCYCLOALKANOL DERIVATIVE, ITS PREPARATION AND FUNGICIDE FOR AGRICULTURAL USE SHIONOGI & CO LTD 1985-09-06 JP disclosed
EP-0152031-A2 Azolyl cycloalkanol derivatives and agricultural fungicides SHIONOGI & CO., LTD. (JP) 1985-08-21 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-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides TH, CYP51A1, NOS3 OPRM1 4317/4885SLC6A9 2695/4885SLC6A5 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.