SCHEMBL7688677

SCHEMBL7688677

CS(=O)(=O)OC1CC2CC(C#N)(c3cncc(Cl)c3)CC1N2Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
OPRK1 P41145 1/20 0.35
RET P07949 2/20 0.31
OPRL1 P41146 1/20 0.31
OPRM1 P35372 1/20 0.31
SCN1A P35498 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL7684150 0.84 OPRK1 (0.33) KCNH2OPRK1RETOPRL1OPRM1
SCHEMBL7685772 0.82 KCNH2 (0.37) KCNH2OPRK1RETOPRL1OPRM1
SCHEMBL7687764 0.80 OPRK1 (0.35) KCNH2OPRK1RET
SCHEMBL7221508 0.79 OPRL1 (0.43) KCNH2OPRK1RETOPRL1OPRM1
SCHEMBL7685312 0.77 OPRL1 (0.39) KCNH2OPRK1RETOPRL1OPRM1
SCHEMBL6615999 0.75 OPRM1 (0.39) KCNH2OPRK1OPRL1OPRM1
SCHEMBL7223226 0.73 HRH3 (0.46) KCNH2OPRK1OPRL1OPRM1
SCHEMBL7890200 0.71 KDM4E (0.37) KCNH2OPRK1RETOPRL1
SCHEMBL7497979 0.71 LTA4H (0.41) KCNH2OPRK1OPRL1
SCHEMBL7696516 0.69 OPRK1 (0.43) KCNH2OPRK1RETOPRL1OPRM1

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-20020061913-A1 Bicyclic amine derivatives SYNGENTA LIMITED (GB) 2002-05-23 US disclosed
US-6291474-B1 COMBATING AND CONTROLLING INSECT, ACARINE OR NEMATODE PESTS ZENECA LIMITED (GB) 2001-09-18 US disclosed
US-6177442-B1 INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES ZENECA LIMITED (GB) 2001-01-23 US disclosed
US-5968947-A INSECTICIDES, ACARICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1999-10-19 US disclosed
EP-0944627-A1 8-AZABICYCLO 3.2.1]OCTANE-, 8-AZABICYCLO 3.2.1]OCT-6-ENE-, 9-AZABICYCLO 3.3.1]NONANE-, 9-AZA-3-OXABICYCLO 3.3.1]NONANE- AND 9-AZA-3-THIABICYCLO 3.3.1]NONANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 1999-09-29 EP disclosed
WO-1998025924-A1 8-AZABICYCLO[3.2.1]OCTANE-, 8-AZABICYCLO[3.2.1]OCT-6-ENE-, 9-AZABICYCLO[3.3.1]NONANE-, 9-AZA-3-OXABICYCLO[3.3.1]NONANE- AND 9-AZA-3-THIABICYCLO[3.3.1]NONANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 1998-06-18 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-20020061913-A1 Bicyclic amine derivatives ADRA1D, TAAR1, ADRA1A KCNH2 1046/4885OPRK1 523/4885RET 2615/4885

“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.