SCHEMBL2005276

SCHEMBL2005276

CC(N)(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.52
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 2/20 0.48
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A2 P23975 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39

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
SCHEMBL6145 0.82 KCNN4 (0.58) KCNN4TSHRTAAR1MAPK1MAPT
Fluoride SCHEMBL634655 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Water SCHEMBL4609376 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Hydrochloric Acid SCHEMBL111457 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Hydrochloric Acid SCHEMBL8387827 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Iodide SCHEMBL6672017 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Bromide SCHEMBL3629993 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Bromide SCHEMBL414533 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Methylamine SCHEMBL20916863 0.80 KCNN4 (0.55) KCNN4TSHRTAAR1MAPK1MAPT
Hydrochloric Acid SCHEMBL8387706 0.78 KCNN4 (0.52) KCNN4TSHRTAAR1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 US disclosed
CN-105473576-A Pyrimidinedione compounds for cardiac disorders MYOKARDIA INC 2016-04-06 CN disclosed
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN disclosed
CN-103998429-A Substituted anilines as ccr(4) antagonists CHEMOCENTRYX INC 2014-08-20 CN disclosed
CN-103974950-A Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists CHEMOCENTRYX INC 2014-08-06 CN disclosed
CN-103958487-A Benzoic acid derivatives as eif4e inhibitors HOFFMANN LA ROCHE 2014-07-30 CN disclosed
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
CN-102985489-A Method for producing polyphenylene ether resin composition MITSUBISHI ENG PLASTICS CORP 2013-03-20 CN disclosed
CN-101033293-B Polyfunctional phenylene ether oligomer, derivative thereof, resin composition containing the same, and use thereof MITSUBISHI GAS CHEMICAL CO 2011-11-16 CN disclosed
CN-1914239-B Curable resin composition NIPPON STEEL CHEMICAL CO 2010-05-05 CN disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
CN-101128491-A Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC (JP) 2008-02-20 CN disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed
CN-101033293-A Polyfunctional phenylene ether oligomer, derivative thereof, resin composition containing the same, and use thereof MITSUBISHI GAS CHEMICAL CO (JP) 2007-09-12 CN disclosed
CN-1964748-A Coating compositions for bioactive agents SURMODICS INC (US) 2007-05-16 CN disclosed
CN-1964749-A Coating compositions for bioactive agents SURMODICS INC (US) 2007-05-16 CN disclosed
CN-1964750-A Bioactive coating compositions for medical devices SURMODICS INC (US) 2007-05-16 CN disclosed
CN-1914239-A Curable resin composition NIPPON STEEL CHEMICAL CO (JP) 2007-02-14 CN 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 (3 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ KCNN4 3138/4885TSHR 3648/4885TAAR1 3251/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 KCNN4 4816/4885TSHR 2620/4885TAAR1 3750/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 KCNN4 4816/4885TSHR 2620/4885TAAR1 3750/4885

“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.