SCHEMBL7128974

SCHEMBL7128974

CC1(C)CCCC(OC(=O)N2CCN(C(Cc3ccc(C#N)cc3)c3cnc[nH]3)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.37
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 2/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 2/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PRKAA2 P54646 1/20 0.32
ADAM10 O14672 2/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL7119884 0.91 HRH3 (0.37) HRH3CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL7508679 0.88 GPR119 (0.33) HRH3CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL7124953 0.86 HRH3 (0.38) HRH3TPSAB1TPSD1TPSG1DPP4
SCHEMBL7128883 0.83 HRH3 (0.34) HRH3CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL7121496 0.81 HRH3 (0.36) HRH3CYP3A4CYP2D6CYP2C9DPP4
SCHEMBL7127275 0.79 FNTA (0.36) HRH3DPP4FAPDPP8DPP9
SCHEMBL7118951 0.79 FNTA (0.36) HRH3DPP4FAPDPP8DPP9
SCHEMBL7593498 0.79 FNTA (0.36) HRH3DPP4FAPDPP8DPP9
SCHEMBL7128886 0.79 FNTA (0.36) HRH3DPP4FAPDPP8DPP9
SCHEMBL7593432 0.79 FNTA (0.36) HRH3DPP4FAPDPP8DPP9

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 4170/4885CYP3A4 1377/4885CYP2C19 3168/4885

“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.