Brucine

Brucine

SCHEMBL1748435

COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43.O=C(O)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R10 Q9NYW0 2/20 0.67
CHRM1 P11229 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GLRA1 P23415 15/20 0.54
GLRB P48167 15/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 2/20 0.51
SCN1A P35498 1/20 0.51
TAS2R46 P59540 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51

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
Brucine SCHEMBL1748414 1.00 TAS2R10 (0.67) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL5592247 0.89 TAS2R10 (0.69) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL7546669 0.82 TAS2R10 (0.94) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL14029321 0.82 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL10307298 0.82 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL7753865 0.81 TAS2R10 (0.84) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL6794678 0.81 TAS2R10 (0.98) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL31317695 0.81 TAS2R10 (0.98) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL6233075 0.81 TAS2R10 (0.98) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL524833 0.81 TAS2R10 (0.98) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910299-B1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2011-09-07 EP disclosed
US-7968582-B2 5(S)-substituted pyrazoline compounds, their preparation and use as medicaments LABOROTORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-28 US disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1944293-A1 Alpha-Polymorph of a substituted pyrazoline, its preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-07-16 EP disclosed
EP-1944296-A1 Amorphous phase of a substituted pyrazoline, its preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-07-16 EP disclosed
EP-1944294-A1 Gamma-polymorph of a substituted pyrazoline, its preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-07-16 EP disclosed
EP-1944295-A1 Non-racemic mixtures of (R)-N-piperidinyl-5-(4-chlorophenyl)1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide and (S)-N-piperidinyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide Laboratorios del Dr. Esteve S.A. (ES) 2008-07-16 EP disclosed
EP-1910332-A2 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
EP-1910299-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
EP-1757587-A1 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP disclosed
WO-2007009702-A2 SUBSTITUTED PYRAZOLINE COMPOUNDS, HAVING PREDETERMINED STEREOCHEMISTRY, FOR REDUCING TRIGLYCERIDES IN BLOOD LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007009686-A2 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007009695-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
EP-1746090-A1 Sustituted pyrazoline compounds, having predetermined stereochemistry, for reducing triglycerides in blood Laboratorios del Dr. Esteve S.A. (ES) 2007-01-24 EP disclosed
US-20070015811-A1 5(S)-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-18 US disclosed
US-20070015810-A1 5(R)-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-18 US disclosed
EP-1743892-A1 Substituted pyrazoline compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2007-01-17 EP disclosed
EP-1743889-A1 Sustituted pyrazoline compounds, having predetermined stereochemistry, for reducing triglycerides in blood Laboratorios del Dr. Esteve S.A. (ES) 2007-01-17 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 (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-20070015810-A1 5(R)-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments CYP3A5, P2RX5, PIR TAS2R10 1758/4885CHRM1 1013/4885SMN1; SMN2 4412/4885
US-20070015811-A1 5(S)-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments CYP3A5, P2RX5, PPIP5K2 TAS2R10 2098/4885CHRM1 1114/4885SMN1; SMN2 4127/4885

“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.