SCHEMBL7586233

SCHEMBL7586233

CC1CCC2CC1(C(=O)N1CCN(C(Cc3ccc(C#N)cc3)c3cnc[nH]3)CC1)C2(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.32
RAB9A P51151 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
PANK3 Q9H999 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KCNH2 Q12809 2/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL7121496 0.82 HRH3 (0.36) PRKAA2RAB9ACYP19A1HRH3PANK3
SCHEMBL7156162 0.78 CYP19A1 (0.42) CYP19A1HRH3PANK3DPP4
SCHEMBL7119884 0.77 HRH3 (0.37) RAB9ACYP19A1HRH3PANK3FNTA
SCHEMBL7128974 0.76 HRH3 (0.37) PRKAA2RAB9ACYP19A1HRH3DPP4
SCHEMBL7593498 0.75 FNTA (0.36) PRKAA2HRH3DPP4FAPDPP8
SCHEMBL7128886 0.75 FNTA (0.36) PRKAA2HRH3DPP4FAPDPP8
SCHEMBL7127275 0.75 FNTA (0.36) PRKAA2HRH3DPP4FAPDPP8
SCHEMBL7118951 0.75 FNTA (0.36) PRKAA2HRH3DPP4FAPDPP8
SCHEMBL7593432 0.75 FNTA (0.36) PRKAA2HRH3DPP4FAPDPP8
SCHEMBL7130693 0.75 DPP4 (0.38) PRKAA2RAB9ACYP19A1HRH3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US claimed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 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 PRKAA2 2786/4885RAB9A 1991/4885CYP19A1 2104/4885

“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.