SCHEMBL2444559

SCHEMBL2444559

O=C=NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIN2B Q13224 9/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.49
ENPP2 Q13822 1/20 0.48
FAAH O00519 1/20 0.46

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
SCHEMBL11317877 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14397178 0.84 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6062459 0.82 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14992459 0.82 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3898493 0.82 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13709084 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL77639 0.80 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2896415 0.80 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31460273 0.80 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3970912 0.80 MEN1 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234867-A1 SULFONAMIDE HAVING MMP 7-INHIBITING ACTION 大正製薬株式会社 2022-11-10 WO disclosed
WO-2022133064-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. (US) 2022-06-23 WO disclosed
EP-2370429-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-04-20 EP disclosed
EP-2370429-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-04-20 EP disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
EP-2208726-B1 Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2014-08-20 EP disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-8697865-B2 Cyclic amide derivative, and its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
EP-2698370-A2 3-substituted-4-oxo-3,4-dihydro-imidazo-[5,1-d][1,2,3,5]-tetrazine-8-carboxylic acid amides as anticancer agents Pharminox Limited (GB) 2014-02-19 EP disclosed
US-20130338104-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d]1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2013-12-19 US disclosed
US-6506777-B1 Method for modulation of CCR-3 or CCR-5 chemokine receptor activity in a mammal in need thereof to treat asthma, allergic rhinitis, dermatitis, conjunctivitis, atherosclerosis or rheumatoid arthritis, which comprises the administration of an MERCK & CO., INC. 2003-01-14 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
US-6500844-B1 PIPERIDINYL-1-METHYLCYCLOPENTANES AND STEREOISOMERS, USED AS ANTIINFLAMMATORY AND PROPHYLACTIC AGENTS AGAINST ALLERGIC RHINITIS, DERMATITIS, VISION DEFECTS, ASTHMA, ATHRITIS AND FOR PREVENTION OR DELAY OF AQUIRED IMMUNE DIFICIENCY SYNDROME MERCK & CO., INC. 2002-12-31 US disclosed
US-6472410-B1 N-cyclopentyl modulators of chemokine receptor activity MERCK & CO., INC. 2002-10-29 US disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO disclosed
WO-2000076512-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
US-6136827-A PIPERIDINE COMPOUNDS AS DRUGS MERCK & CO., INC. (US) 2000-10-24 US disclosed
EP-1003514-A1 CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2000-05-31 EP disclosed
WO-1999004794-A1 CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-02-04 WO 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-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 SMN1; SMN2 837/4885NPC1 533/4885RAB9A 1520/4885
US-20130338104-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d]1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use MKI67, CCNI, CDK4 SMN1; SMN2 1992/4885NPC1 814/4885RAB9A 2277/4885

“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.