SCHEMBL1596519

SCHEMBL1596519

CN(C)C(=O)NC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.59
POLB P06746 1/20 0.53
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
EPHX2 P34913 1/20 0.42
SMYD3 Q9H7B4 4/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
ACHE P22303 6/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL24790610 0.93 EPHX1 (0.55) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL28231320 0.88 EPHX1 (0.45) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL28231346 0.88 EPHX1 (0.45) EPHX1POLBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL28060562 0.86 EPHX1 (0.44) EPHX1POLBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL28827123 0.86 EPHX1 (0.44) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL18380886 0.84 CA1 (0.45) EPHX1EPHX2CA1CA2ACHE
SCHEMBL2051051 0.84
SCHEMBL20377850 0.84 CA1 (0.45) EPHX1EPHX2CA1CA2ACHE
SCHEMBL9008707 0.81 EPHX1 (0.52) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL11438411 0.80 PKM (0.53) EPHX1EPHX2CA1CA2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190116-B1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO LTD (JP) 2020-08-05 EP disclosed
CN-107108653-B Pyrazolothiazole compound and medicine 日本新药株式会社 2019-04-09 CN disclosed
US-9999622-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-06-19 US disclosed
US-9937176-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-04-10 US disclosed
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2018-04-05 US disclosed
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2017-09-07 US disclosed
EP-3190116-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2017-07-12 EP disclosed
US-7919517-B2 Indazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-05 US disclosed
US-20090082348-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-7470717-B2 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-30 US disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
CN-1777590-A Indazole derivatives KYOWA HAKKO KOGYO KK (JP) 2006-05-24 CN disclosed
EP-1652842-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-05-03 EP 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
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
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 (4 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-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 EPHX1 2636/4885POLB 3124/4885GNAI3 461/4885
US-20070117856-A1 Indazole derivatives IGF1R, NR0B2, ADRA2B EPHX1 3746/4885POLB 3091/4885GNAI3 1308/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B EPHX1 3746/4885POLB 3091/4885GNAI3 1308/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 EPHX1 2636/4885POLB 3124/4885GNAI3 461/4885

“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.