Sugi Predict

Sugi Predict / Compounds / SCHEMBL2978622

SCHEMBL2978622

SCHEMBL2978622

CN1CCCC(C[O])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.48
▸ ACHE P22303 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ LSS P48449 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ SLC6A2 P23975 2/20 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
SCHEMBL1317319 0.91 — —
SCHEMBL27814598 0.84 — —
SCHEMBL375489 0.84 — —
SCHEMBL21078340 0.79 NCF1 (0.50) NCF1ACHESMN1; SMN2ALDH1A1HRH3
SCHEMBL14046039 0.79 NCF1 (0.50) NCF1ACHESMN1; SMN2ALDH1A1HRH3
SCHEMBL19850977 0.79 NCF1 (0.50) NCF1ACHESMN1; SMN2ALDH1A1HRH3
SCHEMBL2883956 0.78 — —
SCHEMBL1428205 0.78 — —
SCHEMBL2971141 0.77 CHRM5 (0.38) NCF1ACHESMN1; SMN2HRH3SIGMAR1
SCHEMBL23967558 0.77 NCF1 (0.82) NCF1ACHESMN1; SMN2HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 — — US claimed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 — — EP claimed
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 — — US disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 — — US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 — — US disclosed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 — — EP disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 — — EP disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 — — 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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 NCF1 1803/4885ACHE 1963/4885SMN1; SMN2 4288/4885

“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.