SCHEMBL7587917

SCHEMBL7587917

CCCC#Cc1cccc2c(C(=O)N3CCN(C(Cc4ccc(C#N)cc4)c4cnc[nH]4)CC3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.41
FNTB P49356 13/20 0.41
CYP19A1 P11511 2/20 0.36
PGGT1B P53609 1/20 0.35
DRD4 P21917 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM1A O60341 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32

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
SCHEMBL7584664 0.91 FNTA (0.38) FNTAFNTBCYP19A1PGGT1BDRD4
Hydrochloric Acid SCHEMBL7750453 0.90 FNTA (0.38) FNTAFNTBCYP19A1PGGT1BDRD4
SCHEMBL7482744 0.86 FNTA (0.41) FNTAFNTBCYP19A1PGGT1BDRD4
SCHEMBL7540210 0.85 HRH3 (0.35) CYP19A1CYP2D6HRH3KDM1A
SCHEMBL7483881 0.84 FNTA (0.38) FNTAFNTBCYP19A1PGGT1BDRD4
SCHEMBL7483971 0.84 FNTA (0.47) FNTAFNTBCYP19A1PGGT1B
Hydrochloric Acid SCHEMBL7602198 0.84 HRH3 (0.36) CYP19A1CYP2D6HRH3KDM1A
Hydrochloric Acid SCHEMBL7748868 0.84 FNTA (0.38) FNTAFNTBCYP19A1PGGT1BDRD4
Hydrochloric Acid SCHEMBL7482278 0.84 FNTA (0.47) FNTAFNTBCYP19A1PGGT1B
SCHEMBL7480201 0.81 MAPK14 (0.46) FNTAFNTBCYP19A1PGGT1B

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 6 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
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
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-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 FNTA 2/4885FNTB 7/4885CYP19A1 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.