Sugi Predict

Sugi Predict / Compounds / SCHEMBL4362945

SCHEMBL4362945

SCHEMBL4362945

O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CCCN2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 5/20 0.46
▸ CHRNB4 P30926 3/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ SCD O00767 1/20 0.43

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
SCHEMBL4362951 1.00 CHRNA3 (0.46) CHRNA3CHRNB4LTA4HSLC6A2SLC6A4
SCHEMBL7615451 0.84 CHRNB4 (0.65) CHRNA3CHRNB4SLC6A2SLC6A4CHRNB2
SCHEMBL7615460 0.84 CHRNB4 (0.65) CHRNA3CHRNB4SLC6A2SLC6A4CHRNB2
SCHEMBL4966862 0.83 CHRNB4 (0.44) CHRNA3CHRNB4LTA4HCHRNB2CHRNA4
SCHEMBL5429974 0.83 CHRNB4 (0.44) CHRNA3CHRNB4LTA4HCHRNB2CHRNA4
SCHEMBL4367286 0.81 CHRNB4 (0.43) CHRNA3CHRNB4LTA4HCHRNB2CHRNA4
SCHEMBL4365460 0.81 CHRNB4 (0.43) CHRNA3CHRNB4LTA4HCHRNB2CHRNA4
SCHEMBL4967708 0.81 CHRNB4 (0.43) CHRNA3CHRNB4LTA4HCHRNB2CHRNA4
SCHEMBL30125933 0.80 CYP19A1 (0.53) SCD
SCHEMBL10002964 0.80 CYP19A1 (0.53) SCD

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-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 — — US disclosed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 — — US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 — — US disclosed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 — — US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 — — EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 — — US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 — — 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 (3 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-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH CHRNA3 34/4885CHRNB4 136/4885LTA4H 976/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS CHRNA3 4628/4885CHRNB4 4751/4885LTA4H 324/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH CHRNA3 34/4885CHRNB4 136/4885LTA4H 976/4885

“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.