SCHEMBL2789863

SCHEMBL2789863

COC(=O)Cc1cncn1Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 14/20 0.76
▸ CYP11B2 P19099 14/20 0.76
▸ IDO1 P14902 1/20 0.47
▸ HPGDS O60760 1/20 0.44
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ PGGT1B P53609 1/20 0.43

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
SCHEMBL8865804 0.89 CYP11B1 (0.62) CYP11B1CYP11B2
SCHEMBL6776094 0.86 CYP11B1 (0.62) CYP11B1CYP11B2IDO1FNTAFNTB
SCHEMBL9642312 0.86 CYP11B1 (1.00) CYP11B1CYP11B2IDO1FNTAFNTB
SCHEMBL7848245 0.85 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL2789150 0.84 CYP11B1 (0.61) CYP11B1CYP11B2IDO1HPGDSFNTA
SCHEMBL7086608 0.83 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8763109 0.82 CYP11B1 (0.60) CYP11B1CYP11B2IDO1HPGDSFNTA
SCHEMBL7749564 0.82 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL10283951 0.82 CYP11B1 (0.60) CYP11B1CYP11B2
SCHEMBL9267101 0.81 CYP11B1 (0.58) CYP11B1CYP11B2IDO1HPGDSFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691859-B2 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2010-04-06 — — US disclosed
EP-1382607-B1 Prenyl transferase inhibitors IPSEN PHARMA (FR) 2009-08-19 — — EP disclosed
US-20080176835-A1 Prenyl Transferase Inhibitors BIOMEASURE, INCORPORATED 2008-07-24 — — US disclosed
US-7361656-B2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-04-22 — — US disclosed
US-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 — — US disclosed
US-20060142275-A1 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-06-29 — — US disclosed
EP-1140942-B1 PRENYL TRANSFERASE INHIBITORS CONSEILS DE RECH SET D APPLIC (FR) 2004-03-10 — — EP disclosed
EP-1382607-A2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-21 — — EP disclosed
EP-1140942-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-10 — — EP disclosed
WO-2000039130-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2000-07-06 — — WO disclosed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 — — US disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 — — EP disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — 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 (2 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-20080176835-A1 Prenyl Transferase Inhibitors FNTA, FNTB, RCE1 CYP11B1 256/4885CYP11B2 266/4885IDO1 3573/4885
US-20060142275-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 CYP11B1 256/4885CYP11B2 266/4885IDO1 3573/4885

“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.

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