SCHEMBL7688352

SCHEMBL7688352

CN1C2C=CC1CC(C#N)(c1cccnc1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
OPRL1 P41146 2/20 0.34
OPRM1 P35372 1/20 0.34
GRM5 P41594 1/20 0.34
CYP3A4 P08684 1/20 0.34
CCR1 P32246 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
SCHEMBL7230273 0.83 OPRL1 (0.44) HSD11B1NPSR1CHRM2CHRM4CHRM5
SCHEMBL22629830 0.78 HSD11B1 (0.40) HSD11B1NPSR1CHRM2CHRM4CHRM5
SCHEMBL22629246 0.78 HSD11B1 (0.40) HSD11B1NPSR1CHRM2CHRM4CHRM5
SCHEMBL6615383 0.77 OPRM1 (0.34) OPRL1OPRM1GRM5
SCHEMBL6615582 0.77 CHRNB2 (0.31)
SCHEMBL7690984 0.76 NPSR1 (0.36) HSD11B1NPSR1CHRM2CHRM4CHRM5
SCHEMBL7228426 0.76 GAA (0.44) HSD11B1NPSR1CHRM2CHRM4CHRM5
SCHEMBL6886453 0.75 OPRM1 (0.55) OPRM1
SCHEMBL20558279 0.75 HSD11B1 (0.44) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL17539987 0.75 CHRNA3 (0.38)

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 HSD11B1 1948/4885NPSR1 231/4885CHRM2 123/4885

“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.