Sugi Predict

Sugi Predict / Compounds / SCHEMBL7124953

SCHEMBL7124953

SCHEMBL7124953

CC1CCCC(OC(=O)N2CCN(C(Cc3ccc(C#N)cc3)c3cnc[nH]3)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.38
▸ TPSAB1 Q15661 6/20 0.37
▸ TPSD1 Q9BZJ3 6/20 0.37
▸ TPSG1 Q9NRR2 6/20 0.37
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PRKAA2 P54646 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
SCHEMBL7128974 0.86 HRH3 (0.37) HRH3TPSAB1TPSD1TPSG1CHRM2
SCHEMBL7589799 0.85 CYP19A1 (0.41) HRH3PRKAA2
SCHEMBL7128886 0.84 FNTA (0.36) HRH3GPR119DPP4FAPDPP8
SCHEMBL7593432 0.84 FNTA (0.36) HRH3GPR119DPP4FAPDPP8
SCHEMBL7118951 0.84 FNTA (0.36) HRH3GPR119DPP4FAPDPP8
SCHEMBL7593498 0.84 FNTA (0.36) HRH3GPR119DPP4FAPDPP8
SCHEMBL7119884 0.84 HRH3 (0.37) HRH3GPR119
SCHEMBL7127275 0.84 FNTA (0.36) HRH3GPR119DPP4FAPDPP8
SCHEMBL7128883 0.82 HRH3 (0.34) HRH3GPR119DPP4FAPDPP8
SCHEMBL7587362 0.80 GPR119 (0.38) HRH3CHRM3GPR119DPP4FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003524618-A — — 2003-08-19 — — JP claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 — — US claimed
EP-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 — — EP claimed
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 — — US claimed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 — — EP claimed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 — — WO claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 — — US disclosed
EP-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 — — EP disclosed
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 — — US disclosed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 — — EP disclosed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 — — 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-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay GGT1, FNTA, GGPS1 HRH3 4170/4885TPSAB1 176/4885TPSD1 563/4885

“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.