SCHEMBL208041

SCHEMBL208041

O=C(CCl)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
LMNA P02545 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
P4HTM Q9NXG6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CTNNB1 P35222 4/20 0.53
WNT3A P56704 3/20 0.53
GRM4 Q14833 1/20 0.53
GRM5 P41594 1/20 0.51
GSK3B P49841 1/20 0.50
EPHX2 P34913 1/20 0.50
SMYD3 Q9H7B4 1/20 0.49

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
Hydrochloric Acid SCHEMBL8564384 0.98 CES2 (0.57) CES2CES1LMNANAPRTP4HTM
SCHEMBL2470002 0.83 CTNNB1 (0.71) CES2CES1LMNANAPRTP4HTM
SCHEMBL253276 0.83 CES2 (0.64) CES2CES1LMNANAPRTP4HTM
SCHEMBL29355245 0.83 CES2 (0.64) CES2CES1LMNANAPRTP4HTM
SCHEMBL7446742 0.82 CTNNB1 (0.57) CES2CES1LMNANAPRTP4HTM
Hydrochloric Acid SCHEMBL28483161 0.81 CTNNB1 (0.55) CES2CES1LMNANAPRTP4HTM
SCHEMBL2639445 0.81 CES2 (0.61) CES2CES1LMNANAPRTP4HTM
SCHEMBL422632 0.81 CES2 (0.61) CES2CES1LMNANAPRTP4HTM
SCHEMBL422631 0.81 CES2 (0.61) CES2CES1LMNANAPRTP4HTM
SCHEMBL156496 0.79 ALDH1A1 (0.61) CES2CES1LMNANAPRTP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2231486-A None JP disclosed
CN-118598801-A Preparation method of acetyl pyridine compound 帕潘纳(北京)科技有限公司 2024-09-06 CN disclosed
CN-110117285-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2023-02-03 CN disclosed
CN-105658322-B Clay/polymer blends as high pH or ionic liquid barriers 艾莫考国际公司 2021-04-09 CN disclosed
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 EP disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 US disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
WO-2003027096-A1 SUBSTITUTED 3-PYRIDYL IMIDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
US-5846791-A N-(R)-(2-hydroxy-2-pyridine-3-yl-ethyl)-2-(4-nitro-phenyl)-acetamide MERCK & CO., INC. (US) 1998-12-08 US disclosed
US-5792871-A BETA-3 AGONIST USEFUL IN TREATMENT OF OBESITY AND DIABETES MERCK & CO., INC. (US) 1998-08-11 US disclosed
WO-1998003672-A9 N-(R)-(2-HYDROXY-2-PYRIDINE-3-YL-ETHYL)-2-(4-NITRO-PHENYL)-ACETAMIDE 1998-04-23 WO disclosed
WO-1998003672-A1 N-(R)-(2-HYDROXY-2-PYRIDINE-3-YL-ETHYL)-2-(4-NITRO-PHENYL)-ACETAMIDE MERCK & CO., INC. (US) 1998-01-29 WO disclosed
US-5030640-A Alpha-heterocyclic ethanolamino alkylindoles, growth promoters and feed efficiency agents for animals, bronchodilators, antidepressants, antiobesity agents MERCK & CO., INC. (US) 1991-07-09 US disclosed
US-5019578-A β-adrenergic agonists MERCK & CO., INC. (US) 1991-05-28 US disclosed
JP-H02231486-A NOVEL BETA-ADRENERGIC AGONIST MERCK & CO INC 1990-09-13 JP disclosed
EP-0377488-A1 Novel beta-adrenergic agonists MERCK & CO. INC. (US) 1990-07-11 EP disclosed
EP-0318092-A2 Novel beta-adrenergic agonists MERCK & CO. INC. (US) 1989-05-31 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-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B CES2 519/4885CES1 198/4885LMNA 1956/4885

“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.