SCHEMBL7593385

SCHEMBL7593385

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.38
FNTB P49356 14/20 0.38
PGGT1B P53609 14/20 0.38
HRH1 P35367 2/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
OPRM1 P35372 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
HRH2 P25021 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL7592792 0.89 HRH1 (0.41) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL3500628 0.86 FNTA (0.54) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL7593498 0.84 FNTA (0.36) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL7593432 0.84 FNTA (0.36) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL7118951 0.84 FNTA (0.36) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL7183666 0.84 FNTA (0.57) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL7128886 0.84 FNTA (0.36) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL7127275 0.84 FNTA (0.36) FNTAFNTBPGGT1BHRH1HTR1A
SCHEMBL7156162 0.84 CYP19A1 (0.42) HRH3CYP19A1
SCHEMBL7132213 0.84 PDK2 (0.37) HRH3GPR119CYP19A1

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 4 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-6355643-B1 ENZYME INHIBITORS, RAS GENES AND PROTEINS MERCK & CO., INC. 2002-03-12 US claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US disclosed
US-6355643-B1 ENZYME INHIBITORS, RAS GENES AND PROTEINS MERCK & CO., INC. 2002-03-12 US 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 FNTA 2/4885FNTB 7/4885PGGT1B 11/4885

“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.