Sugi Predict

Sugi Predict / Compounds / SCHEMBL78829

SCHEMBL78829

SCHEMBL78829

N#Cc1cccc(CCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.49
▸ GLA P06280 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ IDH1 O75874 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ MEP1A Q16819 1/20 0.44
▸ MEP1B Q16820 1/20 0.44
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KCNJ1 P48048 1/20 0.42

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
SCHEMBL30750458 1.00 HTR2B (0.49) HTR2BGLACNR1FFAR1IDH1
SCHEMBL5280581 0.95 HTR2B (0.48) HTR2BGLACNR1FFAR1IDH1
SCHEMBL320197 0.89 HRH3 (0.49) HTR2BGLACNR1FFAR1IDH1
SCHEMBL28248372 0.88 HTR2B (0.54) HTR2BGLACNR1FFAR1FFAR4
SCHEMBL28865565 0.88 HTR2B (0.50) HTR2BGLACNR1FFAR1FFAR4
SCHEMBL24358855 0.86 HTR2B (0.49) HTR2BGLACNR1FFAR1FFAR4
SCHEMBL29732423 0.86 HTR2B (0.49) HTR2BGLACNR1FFAR1FFAR4
SCHEMBL2154019 0.84 GLA (0.53) HTR2BGLACNR1FFAR1FFAR4
SCHEMBL9627314 0.83 FFAR1 (0.68) FFAR1FFAR4CYP4F2CYP4A11CYP19A1
SCHEMBL6962952 0.83 DRD2 (0.49) HTR2BGLAFFAR1FFAR4FOLH1

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 30 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
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 — — CN 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
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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US 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-0235452-B1 ORGANIC COMPOUNDS AND THEIR PHARMACEUTICAL USE LILLY INDUSTRIES LIMITED (GB) 1992-03-18 — — EP disclosed
EP-0329464-A2 System for the closed-loop administration of an exercise simulating agent GENSIA, INC. (US) 1989-08-23 — — EP disclosed
US-4845110-A Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1989-07-04 — — US disclosed
EP-0235452-A2 Organic compounds and their pharmaceutical use LILLY INDUSTRIES LIMITED (GB) 1987-09-09 — — 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C HTR2B 429/4885GLA 2688/4885CNR1 339/4885

“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.