SCHEMBL4863747

SCHEMBL4863747

O=C1CCC(c2ccc(F)cc2)c2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
CYP17A1 P05093 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
MAOB P27338 3/20 0.40
CYP19A1 P11511 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2489537 0.84 CYP19A1 (0.47) MAOBCYP19A1
SCHEMBL10975981 0.83 MAOB (0.49) MAOBCYP19A1KDM4E
SCHEMBL8402135 0.77 SLC6A2 (0.41) MAOBCYP19A1
SCHEMBL31598939 0.77 SLC6A2 (0.41) MAOBCYP19A1
SCHEMBL7324722 0.77 VHL (0.41) CYP19A1
SCHEMBL4867739 0.77 CYP3A4 (0.40) CYP3A4CYP17A1CYP11B2CYP11B1KDM4E
SCHEMBL4867731 0.77 CYP3A4 (0.40) CYP3A4CYP17A1CYP11B2CYP11B1KDM4E
SCHEMBL27527067 0.77 ACHE (0.47) MAOB
SCHEMBL5709369 0.76 CYP3A4 (0.61) CYP3A4CYP17A1CYP11B2CYP11B1
SCHEMBL10983553 0.75 KDM4E (0.55) MAOBCYP19A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 CYP3A4 1174/4885CYP17A1 523/4885CYP11B2 6/4885

“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.