SCHEMBL7165228

SCHEMBL7165228

CC(=O)CCCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.68
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2A6 P11509 1/20 0.58
HRH1 P35367 2/20 0.54
NAPRT Q6XQN6 1/20 0.53
CHRNA7 P36544 2/20 0.52
MAPT P10636 1/20 0.51
ESR1 P03372 1/20 0.51
CYP19A1 P11511 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
SCHEMBL868044 0.91 TBXAS1 (0.60) TBXAS1TDP1L3MBTL1CYP2A6NAPRT
Hydrochloric Acid SCHEMBL11004443 0.89 TBXAS1 (0.61) TBXAS1TDP1L3MBTL1NAPRTCHRNA7
SCHEMBL30612524 0.86 TBXAS1 (0.90) TBXAS1TDP1L3MBTL1CYP2A6HRH1
SCHEMBL933853 0.86 TBXAS1 (0.68) TBXAS1TDP1L3MBTL1CYP2A6HRH1
SCHEMBL1583762 0.86 TBXAS1 (0.90) TBXAS1TDP1L3MBTL1CYP2A6HRH1
SCHEMBL9522811 0.86 TDP1 (0.61) TBXAS1TDP1L3MBTL1CYP2A6HRH1
SCHEMBL9520246 0.85 TBXAS1 (0.62) TBXAS1TDP1L3MBTL1CYP2A6HRH1
SCHEMBL20221007 0.84 TBXAS1 (0.66) TBXAS1TDP1L3MBTL1CYP2A6HRH1
SCHEMBL5724822 0.84 TBXAS1 (0.66) TBXAS1TDP1L3MBTL1CYP2A6HRH1
SCHEMBL19176893 0.83 TBXAS1 (0.60) TBXAS1TDP1L3MBTL1CYP2A6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
EP-2569629-B1 DETECTION OF NICOTINE METABOLITES GFC DIAGNOSTICS LTD (GB) 2015-08-19 EP disclosed
US-6534489-B1 Organophosphorus compounds and the use thereof JOMAA PHARMAKA GMBH (DE) 2003-03-18 US disclosed
EP-1133500-B1 ORGANOPHOSPHOROUS COMPOUNDS AND THE USE THEREOF JOMAA PHARMAKA GMBH (DE) 2002-09-11 EP disclosed
EP-1133500-A1 ORGANOPHOSPHOROUS COMPOUNDS AND THE USE THEREOF Jomaa Pharmaka GmbH (DE) 2001-09-19 EP disclosed
WO-2000031085-A1 ORGANOPHOSPHOROUS COMPOUNDS AND THE USE THEREOF JOMAA PHARMAKA GMBH (DE) 2000-06-02 WO disclosed
WO-1997021703-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 US 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 TBXAS1 1327/4885TDP1 4487/4885L3MBTL1 3149/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 TBXAS1 465/4885TDP1 3252/4885L3MBTL1 4204/4885

“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.