SCHEMBL469181

SCHEMBL469181

CCNC(C)(C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.64
TAAR1 Q96RJ0 1/20 0.43
MAPK1 P28482 1/20 0.41
DPP4 P27487 1/20 0.40
NR3C2 P08235 1/20 0.39
KIF11 P52732 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
Hydrochloric Acid SCHEMBL9957339 0.98 KCNN4 (0.61) KCNN4TAAR1MAPK1DPP4NR3C2
Bromide SCHEMBL28232025 0.98 KCNN4 (0.61) KCNN4TAAR1MAPK1DPP4NR3C2
SCHEMBL6891739 0.82 KCNN4 (0.48) KCNN4TAAR1MAPK1DPP4NR3C2
Bromide SCHEMBL28188129 0.81 KCNN4 (0.44) KCNN4DPP4CYP2C19HIF1AALDH1A1
SCHEMBL19153594 0.81 TSHR (0.44) KCNN4MAPK1KIF11ALDH1A1ALOX15
SCHEMBL28798433 0.81 KCNN4 (0.64) KCNN4TAAR1MAPK1NR3C2KIF11
SCHEMBL22430335 0.79 TSHR (0.48) KCNN4KIF11CYP2C19ALDH1A1CYP3A4
SCHEMBL13900473 0.79 KCNN4 (0.45) KCNN4TAAR1MAPK1DPP4KIF11
SCHEMBL11922815 0.79 KCNN4 (0.45) KCNN4TAAR1KIF11ALDH1A1HDAC3
SCHEMBL2490805 0.78 KCNN4 (1.00) KCNN4TAAR1MAPK1NR3C2KIF11

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255428-A1 AROMATIC COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOSITION, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT 三菱ケミカル株式会社 2022-12-08 WO disclosed
CN-114981366-A Hydrophobic, low glass transition temperature oligomers with high levels of chain transfer agents 本杰明·摩尔公司 2022-08-30 CN disclosed
US-11384090-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed
US-20190088889-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-03-21 US disclosed
WO-2017205041-A1 HIGH CHARGE DENSITY METALLOPHOSPHATE MOLECULAR SIEVES UOP LLC (US) 2017-11-30 WO disclosed
CN-105592892-A Compositions comprising gallates and gallamides COLGATE PALMOLIVE CO 2016-05-18 CN disclosed
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 WO disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
EP-0094191-B1 ANTIULCER 2-GUANIDINO-4-(2-SUBSTITUTED-AMINO-4-IMIDAZOLYL)-THIAZOLES AND PROCESS THEREFOR PFIZER INC. (US) 1988-04-20 EP disclosed
US-4435396-A FROM 2-AMINO-5-ACETYLOXAZOLE PFIZER INC. (US) 1984-03-06 US disclosed
EP-0094191-A1 Antiulcer 2-guanidino-4-(2-substituted-amino-4-imidazolyl)-thiazoles and process therefor PFIZER INC. (US) 1983-11-16 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 (7 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN KCNN4 835/4885TAAR1 356/4885MAPK1 1920/4885
US-11384090-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN KCNN4 140/4885TAAR1 2860/4885MAPK1 1006/4885
US-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI KCNN4 3973/4885TAAR1 3305/4885MAPK1 1152/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 KCNN4 489/4885TAAR1 343/4885MAPK1 2759/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 KCNN4 4260/4885TAAR1 1238/4885MAPK1 703/4885
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN KCNN4 194/4885TAAR1 3502/4885MAPK1 877/4885
US-20190088889-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TIMCC, ICOSLG, NUDT1 KCNN4 19/4885TAAR1 612/4885MAPK1 3993/4885

“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.