Sugi Predict

Sugi Predict / Compounds / SCHEMBL7685772

SCHEMBL7685772

SCHEMBL7685772

N#CC1(c2cncc(Cl)c2)CC2CC(O)C(C1)N2Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.37
▸ OPRK1 P41145 3/20 0.37
▸ OPRM1 P35372 3/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ RET P07949 4/20 0.33
▸ SIGMAR1 Q99720 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL7221508 0.85 OPRL1 (0.43) KCNH2OPRK1OPRM1OPRL1RET
SCHEMBL7685312 0.83 OPRL1 (0.39) KCNH2OPRK1OPRM1OPRL1RET
SCHEMBL7688677 0.82 KCNH2 (0.35) KCNH2OPRK1OPRM1OPRL1RET
SCHEMBL7686941 0.81 CHRNB2 (0.34) OPRL1
SCHEMBL6615999 0.81 OPRM1 (0.39) KCNH2OPRK1OPRM1OPRL1ALDH1A1
SCHEMBL7684150 0.81 OPRK1 (0.33) KCNH2OPRK1OPRM1OPRL1RET
SCHEMBL7687764 0.79 OPRK1 (0.35) KCNH2OPRK1RET
SCHEMBL7223226 0.78 HRH3 (0.46) KCNH2OPRK1OPRM1OPRL1SIGMAR1
SCHEMBL7890200 0.77 KDM4E (0.37) KCNH2OPRK1OPRL1RETSIGMAR1
SCHEMBL7497979 0.76 LTA4H (0.41) KCNH2OPRK1OPRL1HSD17B10

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
US-20020061913-A1 Bicyclic amine derivatives SYNGENTA LIMITED (GB) 2002-05-23 — — US disclosed
US-6294545-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2001-09-25 — — 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 523/4885OPRM1 377/4885

“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.