SCHEMBL7130693

SCHEMBL7130693

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SRD5A2 P31213 2/20 0.37
FPR1 P21462 4/20 0.36
FPR2 P25090 4/20 0.36
EPHX1 P07099 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
PRKAA2 P54646 2/20 0.35
CYP19A1 P11511 2/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL3501778 0.89 CHRM3 (0.46) CYP19A1AKT1AKT2AKT3
SCHEMBL7156162 0.84 CYP19A1 (0.42) DPP4HRH3CYP19A1
SCHEMBL7587362 0.81 GPR119 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL7121496 0.80 HRH3 (0.36) DPP4FAPDPP8DPP9DPP7
SCHEMBL7462788 0.80 HRH3 (0.36) DPP4FAPDPP8DPP9DPP7
SCHEMBL7716788 0.79 DPP4 (0.36) DPP4FAPDPP8DPP9DPP7
SCHEMBL7128883 0.79 HRH3 (0.34) DPP4FAPDPP8DPP9DPP7
SCHEMBL7188902 0.79 CYP19A1 (0.41) CYP19A1AKT1AKT2AKT3
SCHEMBL7467860 0.79 HSD11B1 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL7593498 0.79 FNTA (0.36) DPP4FAPDPP8DPP9DPP7

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 DPP4 1188/4885FAP 458/4885DPP8 1088/4885

“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.