SCHEMBL7480437

SCHEMBL7480437

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)c3cccc4cccnc34)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CCR3 P51677 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
FNTA P49354 7/20 0.36
FNTB P49356 7/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PKLR P30613 1/20 0.36
NLN Q9BYT8 1/20 0.36
SLC6A7 Q99884 1/20 0.35
PGGT1B P53609 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 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
SCHEMBL7483971 0.87 FNTA (0.47) FNTAFNTBPGGT1BALDH1A1
Hydrochloric Acid SCHEMBL7482278 0.87 FNTA (0.47) FNTAFNTBPGGT1BALDH1A1
SCHEMBL7483881 0.83 FNTA (0.38) HTR2AHTR2CABCG2FNTAFNTB
SCHEMBL7480201 0.83 MAPK14 (0.46) CHRM2CCR3FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7748868 0.82 FNTA (0.38) HTR2AHTR2CABCG2FNTAFNTB
SCHEMBL7485633 0.82 CHRM2 (0.38) CHRM2CCR3ABCG2FNTAFNTB
SCHEMBL7492267 0.81 HCRTR1 (0.35) ABCG2FNTAFNTB
SCHEMBL7156162 0.80 CYP19A1 (0.42)
SCHEMBL7482744 0.80 FNTA (0.41) HTR2AHTR2CABCG2FNTAFNTB
SCHEMBL7584664 0.80 FNTA (0.38) HTR2AHTR2CABCG2FNTAFNTB

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-2002538121-A 2002-11-12 JP claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US claimed
EP-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP claimed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES 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-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP disclosed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES 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 CHRM2 4488/4885CCR3 4520/4885HTR2A 4845/4885

“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.