SCHEMBL80726

SCHEMBL80726

N#Cc1cccc(CCCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.46
GLA P06280 1/20 0.45
GSK3B P49841 1/20 0.45
MEP1A Q16819 1/20 0.44
MEP1B Q16820 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
IDH1 O75874 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FOLH1 Q04609 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
SCN8A Q9UQD0 1/20 0.40

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
SCHEMBL5284581 0.95 GSK3B (0.47) HTR2BGLAGSK3BMEP1AMEP1B
SCHEMBL2058688 0.89 GLA (0.47) HTR2BGLAGSK3BMEP1AMEP1B
SCHEMBL28865565 0.88 HTR2B (0.50) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL28248372 0.88 HTR2B (0.54) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL24358855 0.86 HTR2B (0.49) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL29732423 0.86 HTR2B (0.49) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL2154019 0.84 GLA (0.53) HTR2BGLAGSK3BMEP1AMEP1B
SCHEMBL6962952 0.83 DRD2 (0.49) HTR2BGLAKCNJ1KCNH2FFAR1
SCHEMBL5545471 0.81 HTR2B (0.46) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL6951637 0.81 FAAH (0.50) HTR2BGLAKCNJ1KCNH2FFAR1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-2226323-A1 New tetrahydropyrazolo[3,4-c]isoquinolin-5-amine derivatives Almirall, S.A. (ES) 2010-09-08 EP disclosed
EP-2226323-A1 New tetrahydropyrazolo[3,4-c]isoquinolin-5-amine derivatives Almirall, S.A. (ES) 2010-09-08 EP disclosed
WO-2010097172-A1 NEW TETRAHYDROPYRAZOLO[3,4-C]ISOQUINOLIN-5-AMINE DERIVATIVES ALMIRALL, S.A. (ES) 2010-09-02 WO disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
EP-0658538-B1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA INC (US) 1997-10-29 EP disclosed
EP-0329464-B1 System for the closed-loop administration of an exercise simulating agent GENSIA INC (US) 1995-11-02 EP disclosed
US-5460605-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-10-24 US disclosed
EP-0658538-A1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-06-21 EP disclosed
US-5395970-A 1-(3,4-dihydroxyphenyl)-2-(4-(4-hydroxyphenyl)butaylamino)ethanol GENSIA PHARMACEUTICALS, INC. (US) 1995-03-07 US disclosed
US-5286252-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1994-02-15 US disclosed
US-5234404-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1993-08-10 US disclosed
US-5108363-A DIAGNOSIS, EVALUATION AND TREATMENT OF CORONARY ARTERY DISEASE BY EXERCISE SIMULATION USING CLOSED LOOP DRUG DELIVERY OF AN EXERCISE SIMULATING AGENT BETA AGONIST GENSIA PHARMACEUTICALS, INC. (US) 1992-04-28 US disclosed
EP-0329464-A2 System for the closed-loop administration of an exercise simulating agent GENSIA, INC. (US) 1989-08-23 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS HTR2B 2741/4885GLA 2928/4885GSK3B 3527/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C HTR2B 429/4885GLA 2688/4885GSK3B 1973/4885

“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.