SCHEMBL7121496

SCHEMBL7121496

CC1(C)CC1C(=O)N1CCN(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
CYP19A1 P11511 2/20 0.36
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 2/20 0.35
PANK3 Q9H999 2/20 0.35
PRKAA2 P54646 1/20 0.34
CPA1 P15085 1/20 0.34
RAB9A P51151 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
CPB2 Q96IY4 1/20 0.34
FAP Q12884 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL7156162 0.85 CYP19A1 (0.42) HRH3CYP19A1DPP4PANK3CPA1
SCHEMBL7119884 0.84 HRH3 (0.37) HRH3CYP19A1PANK3CPA1RAB9A
SCHEMBL7586233 0.82 PRKAA2 (0.32) HRH3CYP19A1DPP4DPP8PANK3
SCHEMBL7588753 0.81 FNTA (0.55) DPP8PANK3FNTAFNTBPGGT1B
SCHEMBL7132213 0.81 PDK2 (0.37) HRH3CYP19A1DPP4PANK3PRKAA2
SCHEMBL7131139 0.81 HRH3 (0.43) HRH3CYP19A1DPP4PANK3PRKAA2
SCHEMBL7462788 0.81 HRH3 (0.36) HRH3CYP19A1DPP4DPP8PANK3
SCHEMBL7128974 0.81 HRH3 (0.37) HRH3CYP19A1DPP4DPP8PRKAA2
SCHEMBL7481462 0.81 PRKAA2 (0.39) HRH3CYP19A1PRKAA2FNTAFNTB
SCHEMBL7467860 0.80 HSD11B1 (0.41) HRH3CYP19A1DPP4DPP8PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003524618-A 2003-08-19 JP 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-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO 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-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO 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 4170/4885CYP19A1 2104/4885DPP4 1188/4885

“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.