SCHEMBL6099529

SCHEMBL6099529

CC(=O)N1CCc2cc(F)c(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.59
CYP11B2 P19099 7/20 0.52
CYP11B1 P15538 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 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
SCHEMBL6099890 0.83 NOTUM (0.54) NOTUMCYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL32673770 0.82 NOTUM (0.54) NOTUMCYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL7140297 0.82 NOTUM (0.54) NOTUMCYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL8527054 0.81 NOTUM (0.53) NOTUMCYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL30727224 0.80 GPR119 (0.48) NOTUM
SCHEMBL17795342 0.80 GPR119 (0.48) NOTUM
SCHEMBL8785820 0.80 NOTUM (0.51) NOTUMCYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL8148793 0.79 NOTUM (0.54) NOTUMCYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL21469189 0.79 NOTUM (0.58) NOTUMCYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL8530059 0.79 HTR2A (0.57) NOTUMCYP11B2CYP11B1KDM4EALDH1A1

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-7109201-B2 Piperazine derivatives, their preparation and uses in therapy SMITHKLINE BEECHAM PLC (GB) 2006-09-19 US disclosed
EP-1368337-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM PLC (GB) 2005-06-15 EP disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-20040142925-A1 Piperazine derivatives their preparation and uses in therapy SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-22 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
EP-1368337-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM PLC (GB) 2003-12-10 EP disclosed
WO-2002074764-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM P.L.C. (GB) 2002-09-26 WO disclosed
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 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-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A NOTUM 4293/4885CYP11B2 970/4885CYP11B1 939/4885
US-20040142925-A1 Piperazine derivatives their preparation and uses in therapy NR3C2, NR2C2, NR3C1 NOTUM 2465/4885CYP11B2 273/4885CYP11B1 367/4885

“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.